2-(4-chlorophenyl)-1-methylpyrrolidin-3-amine

• ChemBase ID: 244393
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: N1(C(c2ccc(cc2)Cl)C(CC1)N)C
• Canonical SMILES: CN1CCC(C1c1ccc(cc1)Cl)N
• InChI: InChI=1S/C11H15ClN2/c1-14-7-6-10(13)11(14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3
• InChIKey: YSPYNRIBDIUMEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
• Synonyms: 2-(4-chlorophenyl)-1-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD19645181
• PubChem SID: 164300303
• PubChem CID: 64076634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6563194
• LogD (pH = 7.4): -0.062479075
• Log P: 1.7296724
• Molar Refractivity: 59.5921 cm^3
• Polarizability: 23.718443 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.966

Product Information

• Purity: 95%