methyl[2-(phenylamino)ethyl]amine

• ChemBase ID: 267311
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N(c1ccccc1)CCNC
• Canonical SMILES: CNCCNc1ccccc1
• InChI: InChI=1S/C9H14N2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
• InChIKey: COCFQAQFBIRRKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(phenylamino)ethyl]amine
• IUPAC Traditional name: methyl[2-(phenylamino)ethyl]amine
• Synonyms: methyl[2-(phenylamino)ethyl]amine

Database IDs

• MDL Number: MFCD07626415
• PubChem SID: 164323221
• PubChem CID: 10582940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1092274
• LogD (pH = 7.4): -1.1206936
• Log P: 1.0816206
• Molar Refractivity: 48.9762 cm^3
• Polarizability: 18.554289 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.256

Product Information

• Purity: 95%