ethyl(1-phenylethyl)amine

• ChemBase ID: 23560
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(C(NCC)C)ccccc1
• Canonical SMILES: CCNC(c1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
• InChIKey: GJKPTDGTWOVONJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(1-phenylethyl)amine
• IUPAC Traditional name: benzylamine, N-ethyl-α-methyl-
• Synonyms: N-Ethyl-1-phenyl-1-ethanamine; N-ethyl-1-phenylethanamine

Database IDs

• CAS Number: 10137-87-8
• MDL Number: MFCD00463430
• PubChem SID: 160986867
• PubChem CID: 24979

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.90547335
• LogD (pH = 7.4): -0.09386685
• Log P: 2.3049777
• Molar Refractivity: 48.4734 cm^3
• Polarizability: 19.290514 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false