methyl[3-(phenylamino)propyl]amine

• ChemBase ID: 265910
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(c1ccccc1)CCCNC
• Canonical SMILES: CNCCCNc1ccccc1
• InChI: InChI=1S/C10H16N2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
• InChIKey: JSZRUWNULDIIGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(phenylamino)propyl]amine
• IUPAC Traditional name: methyl[3-(phenylamino)propyl]amine
• Synonyms: methyl[3-(phenylamino)propyl]amine

Database IDs

• MDL Number: MFCD13249322
• PubChem SID: 164321820
• PubChem CID: 14946391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0978096
• LogD (pH = 7.4): -1.539619
• Log P: 1.1415802
• Molar Refractivity: 53.8416 cm^3
• Polarizability: 20.401218 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.594

Product Information

• Purity: 95%