1-(4-cyclopropylphenyl)ethan-1-amine hydrochloride

• ChemBase ID: 248025
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC1)c1ccc(cc1)C(N)C.Cl
• Canonical SMILES: CC(c1ccc(cc1)C1CC1)N.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8(12)9-2-4-10(5-3-9)11-6-7-11;/h2-5,8,11H,6-7,12H2,1H3;1H
• InChIKey: YVAQWJXMMMKMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-cyclopropylphenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-cyclopropylphenyl)ethanamine hydrochloride
• Synonyms: 1-(4-cyclopropylphenyl)ethan-1-amine hydrochloride

Database IDs

• PubChem SID: 164303935
• PubChem CID: 71758366

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71120614
• LogD (pH = 7.4): 0.019163985
• Log P: 2.2968726
• Molar Refractivity: 51.3388 cm^3
• Polarizability: 20.306652 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.346

Product Information

• Purity: 95%