4-(aminomethyl)-N-ethylaniline

• ChemBase ID: 239194
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(NCC)ccc(cc1)CN
• Canonical SMILES: CCNc1ccc(cc1)CN
• InChI: InChI=1S/C9H14N2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11H,2,7,10H2,1H3
• InChIKey: GWWURTPZWURJSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N-ethylaniline
• IUPAC Traditional name: 4-(aminomethyl)-N-ethylaniline
• Synonyms: 4-(aminomethyl)-N-ethylaniline

Database IDs

• MDL Number: MFCD16673869
• PubChem SID: 164295104
• PubChem CID: 57197973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1207182
• LogD (pH = 7.4): -1.2412984
• Log P: 0.9286003
• Molar Refractivity: 49.4738 cm^3
• Polarizability: 18.54927 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.122

Product Information

• Purity: 95%