N-[3-(2-methoxyphenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 844802
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: c12c(CCC(C1)NCCCc1c(OC)cccc1)cccc2
• Canonical SMILES: COc1ccccc1CCCNC1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H25NO/c1-22-20-11-5-4-8-17(20)10-6-14-21-19-13-12-16-7-2-3-9-18(16)15-19/h2-5,7-9,11,19,21H,6,10,12-15H2,1H3
• InChIKey: GACKGLGMJNEAHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-[3-(2-methoxyphenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-[3-(2-methoxyphenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4300274
• LogD (pH = 7.4): 1.8007926
• Log P: 4.6645117
• Molar Refractivity: 92.0736 cm^3
• Polarizability: 35.956078 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.42
• LOG S: -4.12
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6