(2H3)methylbis(naphthalen-1-ylmethyl)amine hydrochloride

• ChemBase ID: 174014
• Molecular Formular: C23H22ClN
• Molecular Mass: 347.88048
• Monoisotopic Mass: 347.14407739
• SMILES: c1ccc2c(c1)c(ccc2)CN(Cc1c2c(ccc1)cccc2)C.Cl
• Canonical SMILES: CN(Cc1cccc2c1cccc2)Cc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C23H21N.ClH/c1-24(16-20-12-6-10-18-8-2-4-14-22(18)20)17-21-13-7-11-19-9-3-5-15-23(19)21;/h2-15H,16-17H2,1H3;1H
• InChIKey: ZAUPVKKXCANPCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methylbis(naphthalen-1-ylmethyl)amine hydrochloride
• IUPAC Traditional name: (^2H₃)methylbis(naphthalen-1-ylmethyl)amine hydrochloride
• Synonyms: N-Methyl-d3-N-(1-naphthalenylmethyl)-1-naphthalenemethanamine Hydrochloride

Database IDs

• PubChem SID: 164229924
• PubChem CID: 71750474

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2085452
• LogD (pH = 7.4): 3.4090219
• Log P: 5.618069
• Molar Refractivity: 102.1137 cm^3
• Polarizability: 42.39185 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: CDCl3; Dichloromethane
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - M323152

Antifungal.