2-(3,4-dichlorophenyl)cyclopentan-1-amine

• ChemBase ID: 247422
• Molecular Formular: C11H13Cl2N
• Molecular Mass: 230.13362
• Monoisotopic Mass: 229.04250478
• SMILES: c1(cc(c(cc1)Cl)Cl)C1C(N)CCC1
• Canonical SMILES: NC1CCCC1c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C11H13Cl2N/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8,11H,1-3,14H2
• InChIKey: OBOYFJCCZPJIHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)cyclopentan-1-amine
• Synonyms: 2-(3,4-dichlorophenyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD16824890
• PubChem SID: 164303332
• PubChem CID: 62604950

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.41632012
• LogD (pH = 7.4): 0.9433112
• Log P: 3.436109
• Molar Refractivity: 60.5082 cm^3
• Polarizability: 24.013063 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.672

Product Information

• Purity: 95%