[1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine

• ChemBase ID: 307959
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: N1(c2cc(Cl)ccc2)CC(CC1)CN
• Canonical SMILES: NCC1CCN(C1)c1cccc(c1)Cl
• InChI: InChI=1S/C11H15ClN2/c12-10-2-1-3-11(6-10)14-5-4-9(7-13)8-14/h1-3,6,9H,4-5,7-8,13H2
• InChIKey: IAPUBMLRYDQXPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine
• IUPAC Traditional name: [1-(3-chlorophenyl)pyrrolidin-3-yl]methanamine
• Synonyms: 1-[1-(3-chlorophenyl)-3-pyrrolidinyl]methanamine

Database IDs

• CAS Number: 1017428-33-9
• MDL Number: MFCD09948211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0582488
• LogD (pH = 7.4): -0.38116816
• Log P: 1.954101
• Molar Refractivity: 60.7914 cm^3
• Polarizability: 23.333897 Å^3
• Polar Surface Area: 29.26 Å^2