1-(3-chlorophenyl)pyrrolidin-3-amine

• ChemBase ID: 235496
• Molecular Formular: C10H13ClN2
• Molecular Mass: 196.67662
• Monoisotopic Mass: 196.07672611
• SMILES: N1(c2cc(Cl)ccc2)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H13ClN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2
• InChIKey: GWDPWSOIMSXLGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(3-chlorophenyl)pyrrolidin-3-amine
• Synonyms: 1-(3-chlorophenyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11894455
• PubChem SID: 164291406
• PubChem CID: 22926341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1751931
• LogD (pH = 7.4): -0.49825412
• Log P: 1.8365524
• Molar Refractivity: 55.8078 cm^3
• Polarizability: 21.491789 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%