N-propylaniline

• ChemBase ID: 120353
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: N(c1ccccc1)CCC
• Canonical SMILES: CCCNc1ccccc1
• InChI: InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
• InChIKey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylaniline
• IUPAC Traditional name: N-propylaniline
• Synonyms: N-propylaniline

Database IDs

• PubChem SID: 162214706
• PubChem CID: 12153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2055893
• LogD (pH = 7.4): 2.32362
• Log P: 2.3253543
• Molar Refractivity: 45.5244 cm^3
• Polarizability: 17.037941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true