[(2-chlorophenyl)methyl][3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 13332
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: c1ccc(c(c1)CNCCCN1CCOCC1)Cl
• Canonical SMILES: Clc1ccccc1CNCCCN1CCOCC1
• InChI: InChI=1S/C14H21ClN2O/c15-14-5-2-1-4-13(14)12-16-6-3-7-17-8-10-18-11-9-17/h1-2,4-5,16H,3,6-12H2
• InChIKey: OVLMQCGLZDACDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: (2-Chloro-benzyl)-(3-morpholin-4-yl-propyl)-amine

Database IDs

• MDL Number: MFCD01475411
• PubChem SID: 160976639
• PubChem CID: 2990725

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7988098
• LogD (pH = 7.4): 0.27488723
• Log P: 1.9957432
• Molar Refractivity: 76.0698 cm^3
• Polarizability: 29.937984 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false