1-[2-(3-methylphenyl)cyclopropyl]ethan-1-amine hydrochloride

• ChemBase ID: 263889
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: C1(C(C1)C(N)C)c1cc(ccc1)C.Cl
• Canonical SMILES: CC(C1CC1c1cccc(c1)C)N.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-8-4-3-5-10(6-8)12-7-11(12)9(2)13;/h3-6,9,11-12H,7,13H2,1-2H3;1H
• InChIKey: GRDIKWCNRHGFCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methylphenyl)cyclopropyl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-[2-(3-methylphenyl)cyclopropyl]ethanamine hydrochloride
• Synonyms: 1-[2-(3-methylphenyl)cyclopropyl]ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13196193
• PubChem SID: 164319799
• PubChem CID: 45792440

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5195865
• LogD (pH = 7.4): -0.14712264
• Log P: 2.5059378
• Molar Refractivity: 55.9644 cm^3
• Polarizability: 22.07725 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 2.525

Product Information

• Purity: 95%