2-(2-methoxyphenyl)-2-methylpropan-1-amine

• ChemBase ID: 265421
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(C(CN)(C)C)c(OC)cccc1
• Canonical SMILES: NCC(c1ccccc1OC)(C)C
• InChI: InChI=1S/C11H17NO/c1-11(2,8-12)9-6-4-5-7-10(9)13-3/h4-7H,8,12H2,1-3H3
• InChIKey: PAOQHTVYCWOFSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(2-methoxyphenyl)-2-methylpropan-1-amine
• Synonyms: 2-(2-methoxyphenyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD09903778
• PubChem SID: 164321331
• PubChem CID: 24273715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0074948
• LogD (pH = 7.4): -0.013193215
• Log P: 1.9729779
• Molar Refractivity: 54.6193 cm^3
• Polarizability: 21.681631 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.15

Product Information

• Purity: 95%