[(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(3-methoxyphenyl)methyl]amine

• ChemBase ID: 477982
• Molecular Formular: C24H41N3O2
• Molecular Mass: 403.60124
• Monoisotopic Mass: 403.31987757
• SMILES: N1(C(CN(Cc2cc(OC)ccc2)CC2CCN(CC2)CCOC)CCC1)CC
• Canonical SMILES: COCCN1CCC(CC1)CN(CC1CCCN1CC)Cc1cccc(c1)OC
• InChI: InChI=1S/C24H41N3O2/c1-4-27-12-6-8-23(27)20-26(19-22-7-5-9-24(17-22)29-3)18-21-10-13-25(14-11-21)15-16-28-2/h5,7,9,17,21,23H,4,6,8,10-16,18-20H2,1-3H3
• InChIKey: MAEVMRAJKCJMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(3-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-2-yl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})[(3-methoxyphenyl)methyl]amine
• Synonyms: 1-(1-ethyl-2-pyrrolidinyl)-N-(3-methoxybenzyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.370211
• LogD (pH = 7.4): -1.3247168
• Log P: 3.0384197
• Molar Refractivity: 122.3554 cm^3
• Polarizability: 47.986954 Å^3
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.09
• LOG S: 0.28
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 8