1-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclopropan-1-amine

• ChemBase ID: 338254
• Molecular Formular: C16H22N2O3
• Molecular Mass: 290.35748
• Monoisotopic Mass: 290.16304257
• SMILES: N1(C(=O)C2(CC2)N)CC(c2c(ccc(c2)OC)OC)CC1
• Canonical SMILES: COc1ccc(cc1C1CCN(C1)C(=O)C1(N)CC1)OC
• InChI: InChI=1S/C16H22N2O3/c1-20-12-3-4-14(21-2)13(9-12)11-5-8-18(10-11)15(19)16(17)6-7-16/h3-4,9,11H,5-8,10,17H2,1-2H3
• InChIKey: RPXSGJFMOHGGGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclopropan-1-amine
• Synonyms: (1-{[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl}cyclopropyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8045851
• LogD (pH = 7.4): -0.1445163
• Log P: 0.77587736
• Molar Refractivity: 79.904 cm^3
• Polarizability: 31.374735 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.75
• LOG S: -1.96
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4