1-(2-chlorophenyl)-1-methoxypropan-2-amine

• ChemBase ID: 247989
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: c1(C(C(N)C)OC)c(Cl)cccc1
• Canonical SMILES: COC(c1ccccc1Cl)C(N)C
• InChI: InChI=1S/C10H14ClNO/c1-7(12)10(13-2)8-5-3-4-6-9(8)11/h3-7,10H,12H2,1-2H3
• InChIKey: JDROQHVHGGPYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-1-methoxypropan-2-amine
• IUPAC Traditional name: 1-(2-chlorophenyl)-1-methoxypropan-2-amine
• Synonyms: 1-(2-chlorophenyl)-1-methoxypropan-2-amine

Database IDs

• MDL Number: MFCD16062871
• PubChem SID: 164303899
• PubChem CID: 61621043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8136334
• LogD (pH = 7.4): 0.36296937
• Log P: 2.1324255
• Molar Refractivity: 54.4687 cm^3
• Polarizability: 21.77238 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.148

Product Information

• Purity: 95%