benzyl(ethyl)(pyrrolidin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 48232
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1C(CN(Cc2ccccc2)CC)CCC1.Cl.Cl
• Canonical SMILES: CCN(Cc1ccccc1)CC1CCCN1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c1-2-16(12-14-9-6-10-15-14)11-13-7-4-3-5-8-13;;/h3-5,7-8,14-15H,2,6,9-12H2,1H3;2*1H
• InChIKey: NDTPJVMKJFSVND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(ethyl)(pyrrolidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: benzyl(ethyl)(pyrrolidin-2-ylmethyl)amine dihydrochloride
• Synonyms: N-Benzyl-N-(2-pyrrolidinylmethyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561772
• PubChem SID: 162052995
• PubChem CID: 56831780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2502723
• LogD (pH = 7.4): -0.8021853
• Log P: 2.3726118
• Molar Refractivity: 69.2849 cm^3
• Polarizability: 27.44732 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false