N-(1-aminopropan-2-yl)-N-methylaniline

• ChemBase ID: 257903
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(c1ccccc1)(C(CN)C)C
• Canonical SMILES: NCC(N(c1ccccc1)C)C
• InChI: InChI=1S/C10H16N2/c1-9(8-11)12(2)10-6-4-3-5-7-10/h3-7,9H,8,11H2,1-2H3
• InChIKey: MTGWEQNAYMYQLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-aminopropan-2-yl)-N-methylaniline
• IUPAC Traditional name: N-(1-aminopropan-2-yl)-N-methylaniline
• Synonyms: N-(2-amino-1-methylethyl)-N-methyl-N-phenylamine; (2-amino-1-methylethyl)methyl(phenyl)amine

Database IDs

• MDL Number: MFCD09731170
• PubChem SID: 164313813
• PubChem CID: 12693168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3000779
• LogD (pH = 7.4): -0.4753559
• Log P: 1.7008809
• Molar Refractivity: 52.8552 cm^3
• Polarizability: 20.400244 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.95

Product Information

• Purity: 95%