[1-(2,4-dichlorophenyl)cyclopentyl]methanamine

• ChemBase ID: 245599
• Molecular Formular: C12H15Cl2N
• Molecular Mass: 244.1602
• Monoisotopic Mass: 243.05815485
• SMILES: c1(c(cc(cc1)Cl)Cl)C1(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C12H15Cl2N/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
• InChIKey: SCKARNZUKPSNSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,4-dichlorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2,4-dichlorophenyl)cyclopentyl]methanamine
• Synonyms: [1-(2,4-dichlorophenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD09904136
• PubChem SID: 164301509
• PubChem CID: 24274047

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7877319
• LogD (pH = 7.4): 1.8089987
• Log P: 3.76415
• Molar Refractivity: 65.1655 cm^3
• Polarizability: 25.824425 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.411

Product Information

• Purity: 95%