N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 126729
• Molecular Formular: C17H19N
• Molecular Mass: 237.33946
• Monoisotopic Mass: 237.15174961
• SMILES: CNC1Cc2ccccc2C(C1)c1ccccc1
• Canonical SMILES: CNC1Cc2ccccc2C(C1)c1ccccc1
• InChI: InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3
• InChIKey: HLOCJJORRHQDKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: CP-39,332

Database IDs

• CAS Number: 61764-60-1
• PubChem SID: 162221057
• PubChem CID: 15657209
• Chemspider ID: 23189744
• Wikipedia Title: CP-39,332

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.555671
• LogD (pH = 7.4): 1.061224
• Log P: 3.785303
• Molar Refractivity: 76.2854 cm^3
• Polarizability: 29.871237 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled