N-(1-cyclopropylethyl)-4-methoxyaniline

• ChemBase ID: 266623
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1(CC1)C(Nc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)NC(C1CC1)C
• InChI: InChI=1S/C12H17NO/c1-9(10-3-4-10)13-11-5-7-12(14-2)8-6-11/h5-10,13H,3-4H2,1-2H3
• InChIKey: RUKUPEYUUFJAQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropylethyl)-4-methoxyaniline
• IUPAC Traditional name: N-(1-cyclopropylethyl)-4-methoxyaniline
• Synonyms: N-(1-cyclopropylethyl)-4-methoxyaniline

Database IDs

• MDL Number: MFCD11147338
• PubChem SID: 164322533
• PubChem CID: 43196595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.806357
• LogD (pH = 7.4): 2.465124
• Log P: 2.4855049
• Molar Refractivity: 59.0758 cm^3
• Polarizability: 22.472511 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.026

Product Information

• Purity: 95%