GRADE & PURITY ≥98%

Synonyms

4-IODO-2-METHOXYANILINE|338454-80-1|2-AMINO-5-IODOANISOLE|MFCD11044438|Benzenamine, 4-iodo-2-methoxy-|4-Iodo-2-methoxy-phenylamine|SCHEMBL4169962|DTXSID70674156|AEPCMLLYVXZOLQ-UHFFFAOYSA-N|4-Iodo-2-methoxyaniline, AldrichCPR|AKOS015853793|PS-11818|SY02296

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-IODO-2-METHOXYANILINE | 338454-80-1 | 2-AMINO-5-IODOANISOLE | MFCD11044438 | Benzenamine, 4-iodo-2-methoxy- | 4-Iodo-2-methoxy-phenylamine | SCHEMBL4169962 | DTXSID70674156 | AEPCMLLYVXZOLQ-UHFFFAOYSA-N | 4-Iodo-2-methoxyaniline, AldrichCPR | AKOS015853793 | PS-11818 | SY02296

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201328
• Canonical Smiles: COC1=C(C=CC(=C1)I)N
• IUPAC Name: 4-iodo-2-methoxyaniline
• InChIKey: AEPCMLLYVXZOLQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8INO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
• Isomeric SMILES: COC1=C(C=CC(=C1)I)N
• Molecular Weight: 249.05
• Reaxy-Rn: 6857507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6857507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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: 249.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 248.965 Da
• Monoisotopic Mass: 248.965 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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