(2-amino-1-phenylethyl)(methyl)amine

• ChemBase ID: 116869
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(C(NC)CN)ccccc1
• Canonical SMILES: NCC(c1ccccc1)NC
• InChI: InChI=1S/C9H14N2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,7,10H2,1H3
• InChIKey: PSWHCXOXDHWTEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-1-phenylethyl)(methyl)amine
• IUPAC Traditional name: (2-amino-1-phenylethyl)(methyl)amine
• Synonyms: N~1~-methyl-1-phenylethane-1,2-diamine

Database IDs

• PubChem SID: 162107137
• PubChem CID: 98060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5242453
• LogD (pH = 7.4): -1.331347
• Log P: 0.7943779
• Molar Refractivity: 46.926 cm^3
• Polarizability: 18.956106 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.892

Product Information

• Purity: 95+%