(2-aminoethyl)[(4-methylphenyl)methyl]amine

• ChemBase ID: 35635
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(Cc1ccc(cc1)C)CCN
• Canonical SMILES: NCCNCc1ccc(cc1)C
• InChI: InChI=1S/C10H16N2/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5,12H,6-8,11H2,1H3
• InChIKey: FAMIROKBNMLFLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: (2-aminoethyl)[(4-methylphenyl)methyl]amine
• Synonyms: N-(2-Aminoethyl)-N-(4-methylbenzyl)amine

Database IDs

• MDL Number: MFCD04354226
• PubChem SID: 160998942
• PubChem CID: 20551187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3251722
• LogD (pH = 7.4): -1.1119397
• Log P: 1.2480322
• Molar Refractivity: 52.297 cm^3
• Polarizability: 20.722034 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false