N-[(4-aminophenyl)methyl]-N-cyclopropylacetamide

• ChemBase ID: 276826
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: N(C1CC1)(C(=O)C)Cc1ccc(N)cc1
• Canonical SMILES: CC(=O)N(C1CC1)Cc1ccc(cc1)N
• InChI: InChI=1S/C12H16N2O/c1-9(15)14(12-6-7-12)8-10-2-4-11(13)5-3-10/h2-5,12H,6-8,13H2,1H3
• InChIKey: IEPOBFDKNOZEHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-aminophenyl)methyl]-N-cyclopropylacetamide
• IUPAC Traditional name: N-[(4-aminophenyl)methyl]-N-cyclopropylacetamide
• Synonyms: N-[(4-aminophenyl)methyl]-N-cyclopropylacetamide

Database IDs

• MDL Number: MFCD12175073
• PubChem SID: 164332736
• PubChem CID: 43460508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7485386
• LogD (pH = 7.4): 0.7777894
• Log P: 0.77817553
• Molar Refractivity: 60.7835 cm^3
• Polarizability: 22.99289 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.323

Product Information

• Purity: 95%