methyl({[2-(pyrrolidin-1-yl)phenyl]methyl})amine

• ChemBase ID: 92217
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2c(cccc2)CNC)CCCC1
• Canonical SMILES: CNCc1ccccc1N1CCCC1
• InChI: InChI=1S/C12H18N2/c1-13-10-11-6-2-3-7-12(11)14-8-4-5-9-14/h2-3,6-7,13H,4-5,8-10H2,1H3
• InChIKey: YQQVLJYISRREIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(pyrrolidin-1-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[2-(pyrrolidin-1-yl)phenyl]methyl})amine
• Synonyms: N-methyl-2-pyrrolidin-1-ylbenzylamine; N-Methyl-2-pyrrolidin-1-ylbenzylamine 97%; N-methyl-N-(2-pyrrolidin-1-ylbenzyl)amine

Database IDs

• CAS Number: 871217-37-7
• MDL Number: MFCD07348555
• PubChem SID: 162078915
• PubChem CID: 7064025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.11215
• LogD (pH = 7.4): 0.061121736
• Log P: 2.045436
• Molar Refractivity: 61.2756 cm^3
• Polarizability: 23.347157 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.309

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 97%