N-(cyclobutylmethyl)aniline

• ChemBase ID: 236078
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N(CC1CCC1)c1ccccc1
• Canonical SMILES: C1CC(C1)CNc1ccccc1
• InChI: InChI=1S/C11H15N/c1-2-7-11(8-3-1)12-9-10-5-4-6-10/h1-3,7-8,10,12H,4-6,9H2
• InChIKey: NKLFLMIOOKWFHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclobutylmethyl)aniline
• IUPAC Traditional name: N-(cyclobutylmethyl)aniline
• Synonyms: N-(cyclobutylmethyl)aniline

Database IDs

• MDL Number: MFCD03211323
• PubChem SID: 164291988
• PubChem CID: 45076032

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5148053
• LogD (pH = 7.4): 2.668804
• Log P: 2.67117
• Molar Refractivity: 52.7948 cm^3
• Polarizability: 19.98807 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.173

Product Information

• Purity: 95%