N-(cyclopropylmethyl)-2,6-dimethylaniline

• ChemBase ID: 29178
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: N(c1c(cccc1C)C)CC1CC1
• Canonical SMILES: Cc1cccc(c1NCC1CC1)C
• InChI: InChI=1S/C12H17N/c1-9-4-3-5-10(2)12(9)13-8-11-6-7-11/h3-5,11,13H,6-8H2,1-2H3
• InChIKey: PRUUBJBFQCCVRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-2,6-dimethylaniline
• IUPAC Traditional name: N-(cyclopropylmethyl)-2,6-dimethylaniline
• Synonyms: N-(Cyclopropylmethyl)-2,6-dimethylaniline

Database IDs

• MDL Number: MFCD10687802
• PubChem SID: 160992485
• PubChem CID: 28308441

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1390247
• LogD (pH = 7.4): 3.2517977
• Log P: 3.253444
• Molar Refractivity: 58.2762 cm^3
• Polarizability: 21.673063 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false