Furan-2-ylmethyl-(2-methoxy-benzyl)-amine - ≥97% , CAS No.225236-02-2

CAS: 225236-02-2 Cat. No.: F338573 Molecular Weight: 217.27

GRADE & PURITY ≥97%

Synonyms

N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)methanamine | AB00089637-01 | Oprea1_232060 | STK127755 | NCGC00319331-01 | AKOS000133689 | furan-2-ylmethyl-(2-methoxybenzyl)amine | Furan-2-ylmethyl-(2-methoxy-benzyl)-amine | AB00089637-03 | Oprea1_356364 | 1-(fu

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)methanamine | AB00089637-01 | Oprea1_232060 | STK127755 | NCGC00319331-01 | AKOS000133689 | furan-2-ylmethyl-(2-methoxybenzyl)amine | Furan-2-ylmethyl-(2-methoxy-benzyl)-amine | AB00089637-03 | Oprea1_356364 | 1-(fu

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191430
• Canonical Smiles: COC1=CC=CC=C1CNCC2=CC=CO2
• IUPAC Name: N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)methanamine
• InChIKey: WKNQLAHUYDYUNM-UHFFFAOYSA-N
• INCHI: 1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
• Isomeric SMILES: COC1=CC=CC=C1CNCC2=CC=CO2
• Molecular Weight: 217.27
• Reaxy-Rn: 8257400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8257400&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Furan - Heteroaromatic compound - Secondary aliphatic amine - Ether - Oxacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 217.260 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 217.11 Da
• Monoisotopic Mass: 217.11 Da
• Topological Polar Surface Area: 34.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1