{2-[(2,2-dimethyloxan-4-yl)amino]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine

• ChemBase ID: 220964
• Molecular Formular: C19H32N2O2
• Molecular Mass: 320.46958
• Monoisotopic Mass: 320.24637827
• SMILES: C1(OCCC(C1)NCCNCc1ccc(OC(C)C)cc1)(C)C
• Canonical SMILES: CC(Oc1ccc(cc1)CNCCNC1CCOC(C1)(C)C)C
• InChI: InChI=1S/C19H32N2O2/c1-15(2)23-18-7-5-16(6-8-18)14-20-10-11-21-17-9-12-22-19(3,4)13-17/h5-8,15,17,20-21H,9-14H2,1-4H3
• InChIKey: FXXHGDDOKWKSIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2,2-dimethyloxan-4-yl)amino]ethyl}({[4-(propan-2-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: {2-[(2,2-dimethyloxan-4-yl)amino]ethyl}[(4-isopropoxyphenyl)methyl]amine

Database IDs

• PubChem SID: 164276874
• PubChem CID: 42648706

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8348264
• LogD (pH = 7.4): 0.08578143
• Log P: 2.4412408
• Molar Refractivity: 95.1935 cm^3
• Polarizability: 37.97336 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds