4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine

• ChemBase ID: 311844
• Molecular Formular: C14H15ClN2
• Molecular Mass: 246.7353
• Monoisotopic Mass: 246.09237617
• SMILES: N(c1c(cc(cc1)Cl)N)C(c1ccccc1)C
• Canonical SMILES: Clc1ccc(c(c1)N)NC(c1ccccc1)C
• InChI: InChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,16H2,1H3
• InChIKey: YQIFYGBTRHDLNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine
• IUPAC Traditional name: 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine
• Synonyms: (2-amino-4-chlorophenyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 345991-79-9
• MDL Number: MFCD02029653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3536537
• LogD (pH = 7.4): 3.3620822
• Log P: 3.3621907
• Molar Refractivity: 74.7884 cm^3
• Polarizability: 27.739613 Å^3
• Polar Surface Area: 38.05 Å^2