4-{[(cyclopropylmethyl)amino]methyl}-N,N-dimethylaniline

• ChemBase ID: 270479
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1CC1CNCc1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)CNCC1CC1)C
• InChI: InChI=1S/C13H20N2/c1-15(2)13-7-5-12(6-8-13)10-14-9-11-3-4-11/h5-8,11,14H,3-4,9-10H2,1-2H3
• InChIKey: HZQQWPSUZAMEES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(cyclopropylmethyl)amino]methyl}-N,N-dimethylaniline
• IUPAC Traditional name: 4-{[(cyclopropylmethyl)amino]methyl}-N,N-dimethylaniline
• Synonyms: 4-{[(cyclopropylmethyl)amino]methyl}-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD11140253
• PubChem SID: 164326389
• PubChem CID: 28430441

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8408301
• LogD (pH = 7.4): -0.14635304
• Log P: 2.4202158
• Molar Refractivity: 65.6766 cm^3
• Polarizability: 25.193895 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%