(1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine

• ChemBase ID: 272962
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: N(C(c1ccccc1)C)C(CC(C)C)CN
• Canonical SMILES: NCC(NC(c1ccccc1)C)CC(C)C
• InChI: InChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3
• InChIKey: KKVIPCWNLAUNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine
• IUPAC Traditional name: (1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine
• Synonyms: (1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine

Database IDs

• MDL Number: MFCD18483227
• PubChem SID: 164328872
• PubChem CID: 54592703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9706552
• LogD (pH = 7.4): 0.23248072
• Log P: 2.821871
• Molar Refractivity: 69.767 cm^3
• Polarizability: 28.191544 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.067

Product Information

• Purity: 95%