N-(cyclopropylmethyl)aniline

• ChemBase ID: 236076
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)CNc1ccccc1
• Canonical SMILES: C1CC1CNc1ccccc1
• InChI: InChI=1S/C10H13N/c1-2-4-10(5-3-1)11-8-9-6-7-9/h1-5,9,11H,6-8H2
• InChIKey: UYFBSIJFMJLIAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03211294
• PubChem SID: 164291986
• PubChem CID: 15194687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0827024
• LogD (pH = 7.4): 2.2244563
• Log P: 2.2266011
• Molar Refractivity: 48.1938 cm^3
• Polarizability: 18.141161 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.614

Product Information

• Purity: 95%