tert-butyl[(3-methoxyphenyl)methyl]amine

• ChemBase ID: 312667
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(C(C)(C)C)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CNC(C)(C)C
• InChI: InChI=1S/C12H19NO/c1-12(2,3)13-9-10-6-5-7-11(8-10)14-4/h5-8,13H,9H2,1-4H3
• InChIKey: BAZYXMARGARHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(3-methoxyphenyl)methyl]amine
• IUPAC Traditional name: tert-butyl[(3-methoxyphenyl)methyl]amine
• Synonyms: N-(3-methoxybenzyl)-2-methyl-2-propanamine

Database IDs

• CAS Number: 207349-84-6
• MDL Number: MFCD07405541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7766455
• LogD (pH = 7.4): 0.09612823
• Log P: 2.427883
• Molar Refractivity: 59.5748 cm^3
• Polarizability: 23.605577 Å^3
• Polar Surface Area: 21.26 Å^2