N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

• ChemBase ID: 261164
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: C1(CC1)NCc1cc(c(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)CNC1CC1
• InChI: InChI=1S/C10H11Cl2N/c11-9-4-1-7(5-10(9)12)6-13-8-2-3-8/h1,4-5,8,13H,2-3,6H2
• InChIKey: ARVDJBARMJFVNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dichlorophenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(3,4-dichlorophenyl)methyl]cyclopropanamine
• Synonyms: N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

Database IDs

• MDL Number: MFCD06756037
• PubChem SID: 164317074
• PubChem CID: 4719898

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10926234
• LogD (pH = 7.4): 1.470935
• Log P: 3.2052486
• Molar Refractivity: 56.1268 cm^3
• Polarizability: 22.251667 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.4

Product Information

• Purity: 95%