[1-(4-methylphenyl)cyclopropyl]methanamine

• ChemBase ID: 18823
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)(c1ccc(cc1)C)CN
• Canonical SMILES: NCC1(CC1)c1ccc(cc1)C
• InChI: InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-8,12H2,1H3
• InChIKey: NMULNYCSMVQQFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methylphenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-methylphenyl)cyclopropyl]methanamine
• Synonyms: C-(1-p-Tolyl-cyclopropyl)-methylamine

Database IDs

• MDL Number: MFCD06213127
• PubChem SID: 160982130
• PubChem CID: 18524060

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.80770284
• LogD (pH = 7.4): 0.1302971
• Log P: 2.1803446
• Molar Refractivity: 51.3951 cm^3
• Polarizability: 20.228304 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false