1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-amine

• ChemBase ID: 247822
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N1(C(c2cc(OC)ccc2)C(CC1)N)C1CC1
• Canonical SMILES: COc1cccc(c1)C1C(N)CCN1C1CC1
• InChI: InChI=1S/C14H20N2O/c1-17-12-4-2-3-10(9-12)14-13(15)7-8-16(14)11-5-6-11/h2-4,9,11,13-14H,5-8,15H2,1H3
• InChIKey: LNCNFGRZOJOWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-amine
• Synonyms: 1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD19573605
• PubChem SID: 164303732
• PubChem CID: 64076914

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.451891
• LogD (pH = 7.4): -0.45496193
• Log P: 1.433521
• Molar Refractivity: 68.4617 cm^3
• Polarizability: 27.342188 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.836

Product Information

• Purity: 95%