(2R)-N-Propyl-5-methoxytetralin-2-amine , CAS No.101403-25-2

CAS: 101403-25-2 Cat. No.: R669106 Molecular Weight: 219.32

Synonyms

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine hydrochloride | (2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine | ICJPCRXVYMMSJY-GFCCVEGCSA-N | DTXSID101187010 | (R)-1,2,3,4-tetrahydro-5-methoxy-N-propyl-naphthalen-2-amine | B

Storage

Room temperature

Specifications

Synonyms

((R)-5-Methoxy-1, 2, 3, 4-tetrahydro-naphthalen-2-yl)-propyl-amine hydrochloride | (2R)-5-methoxy-N-propyl-1, 2, 3, 4-tetrahydronaphthalen-2-amine | ICJPCRXVYMMSJY-GFCCVEGCSA-N | DTXSID101187010 | (R)-1, 2, 3, 4-tetrahydro-5-methoxy-N-propyl-naphthalen-2-amine | B

Storage

Room temperature

Product Properties

• ALogP: 3.1

Names and Identifiers

• Canonical Smiles: CCCNC1CCC2=C(C1)C=CC=C2OC
• IUPAC Name: (2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
• InChIKey: ICJPCRXVYMMSJY-GFCCVEGCSA-N
• INCHI: 1S/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3/t12-/m1/s1
• Isomeric SMILES: CCCN[C@@H]1CCC2=C(C1)C=CC=C2OC
• Molecular Weight: 219.32
• Reaxy-Rn: 4841777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4841777&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Associated Targets(Human)

DRD2 Tclin D(2) dopamine receptor (1 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 219.320 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 219.162 Da
• Monoisotopic Mass: 219.162 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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