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

• ChemBase ID: 262186
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: N(C(c1ccccc1)C)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)NC(c1ccccc1)C
• InChI: InChI=1S/C14H16N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,15H2,1H3
• InChIKey: HHXZEBYICWXELG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-(1-phenylethyl)benzene-1,4-diamine
• IUPAC Traditional name: 1-N-(1-phenylethyl)benzene-1,4-diamine
• Synonyms: 1-N-(1-phenylethyl)benzene-1,4-diamine

Database IDs

• MDL Number: MFCD11187006
• PubChem SID: 164318096
• PubChem CID: 43115340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0574834
• LogD (pH = 7.4): 2.7363727
• Log P: 2.758146
• Molar Refractivity: 69.9836 cm^3
• Polarizability: 25.937273 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.171

Product Information

• Purity: 95%