(2-amino-2-phenylethyl)(ethyl)amine

• ChemBase ID: 242013
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(C(N)CNCC)ccccc1
• Canonical SMILES: CCNCC(c1ccccc1)N
• InChI: InChI=1S/C10H16N2/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3
• InChIKey: BXEFXICITKYXKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-phenylethyl)(ethyl)amine
• IUPAC Traditional name: (2-amino-2-phenylethyl)(ethyl)amine
• Synonyms: (2-amino-2-phenylethyl)(ethyl)amine

Database IDs

• MDL Number: MFCD12796867
• PubChem SID: 164297923
• PubChem CID: 53705917

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.218833
• LogD (pH = 7.4): -1.2255557
• Log P: 1.1511859
• Molar Refractivity: 51.6746 cm^3
• Polarizability: 20.803177 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.101

Product Information

• Purity: 95%