2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride

C38H41Cl2F3N2O3 — CID 69253804

About 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride

2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 69253804) has the molecular formula C38H41Cl2F3N2O3 and a molecular weight of 701.66 g/mol. Its IUPAC name is 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride
• PubChem CID: 69253804
• Molecular Formula: C38H41Cl2F3N2O3
• Molecular Weight: 701.66 g/mol
• Exact Mass: 700.24
• IUPAC Name: 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride
• SMILES: C[C@@H](COc1cccc(CC(=O)N2CCOCC2)c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C38H40ClF3N2O3.ClH/c1-28(27-47-33-16-8-10-29(22-33)23-36(45)44-18-20-46-21-19-44)24-43(25-32-15-9-17-35(37(32)39)38(40,41)42)26-34(30-11-4-2-5-12-30)31-13-6-3-7-14-31;/h2-17,22,28,34H,18-21,23-27H2,1H3;1H/t28-;/m1./s1
• InChIKey: WGMDSNZVPGJHPZ-LNLSOMNWSA-N
• XLogP: 8.53
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.66
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride?

The IUPAC name of 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride (CID 69253804) is 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride.

What is the SMILES notation for 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride?

The canonical SMILES for 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride is C[C@@H](COc1cccc(CC(=O)N2CCOCC2)c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.Cl.

What is the InChIKey of 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride?

The InChIKey is WGMDSNZVPGJHPZ-LNLSOMNWSA-N. The full InChI is InChI=1S/C38H40ClF3N2O3.ClH/c1-28(27-47-33-16-8-10-29(22-33)23-36(45)44-18-20-46-21-19-44)24-43(25-32-15-9-17-35(37(32)39)38(40,41)42)26-34(30-11-4-2-5-12-30)31-13-6-3-7-14-31;/h2-17,22,28,34H,18-21,23-27H2,1H3;1H/t28-;/m1./s1.

What are the key properties of 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride?

2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 701.66 g/mol, XLogP of 8.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]-2-methylpropoxy]phenyl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 69253804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).