(1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine

• ChemBase ID: 311002
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(Cc1cc(ccc1)C)C(COC)C
• Canonical SMILES: COCC(NCc1cccc(c1)C)C
• InChI: InChI=1S/C12H19NO/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3/h4-7,11,13H,8-9H2,1-3H3
• InChIKey: GKPUKIMRCPIANO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine
• IUPAC Traditional name: (1-methoxypropan-2-yl)[(3-methylphenyl)methyl]amine
• Synonyms: (2-methoxy-1-methylethyl)(3-methylbenzyl)amine

Database IDs

• CAS Number: 356092-84-7
• MDL Number: MFCD01469254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7025911
• LogD (pH = 7.4): 0.60488045
• Log P: 2.4146156
• Molar Refractivity: 59.8095 cm^3
• Polarizability: 23.542933 Å^3
• Polar Surface Area: 21.26 Å^2