7-methoxy-N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 318233
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(N1CCCC1)c1ccc(CNC2Cc3c(ccc(c3)OC)CC2)cc1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCc1ccc(cc1)C(=O)N1CCCC1
• InChI: InChI=1S/C23H28N2O2/c1-27-22-11-9-18-8-10-21(14-20(18)15-22)24-16-17-4-6-19(7-5-17)23(26)25-12-2-3-13-25/h4-7,9,11,15,21,24H,2-3,8,10,12-14,16H2,1H3
• InChIKey: OBTCWDUJADTXSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 7-methoxy-N-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: (7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)[4-(pyrrolidin-1-ylcarbonyl)benzyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4300583
• LogD (pH = 7.4): 1.2981678
• Log P: 3.6350718
• Molar Refractivity: 109.1304 cm^3
• Polarizability: 41.76217 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.07
• LOG S: -4.48
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5