2-(2-methoxyphenyl)propan-1-amine

• ChemBase ID: 268477
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(OC)cccc1)C(CN)C
• Canonical SMILES: NCC(c1ccccc1OC)C
• InChI: InChI=1S/C10H15NO/c1-8(7-11)9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
• InChIKey: OSTZPSFPBMRGRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11590275
• PubChem SID: 164324387
• PubChem CID: 408060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4115479
• LogD (pH = 7.4): -0.6605104
• Log P: 1.594977
• Molar Refractivity: 50.2212 cm^3
• Polarizability: 19.836313 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.351

Product Information

• Purity: 95%