1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine

C16H22ClF3N2OS — CID 172614923

IUPAC1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(SN1CCOC(C)(C)C1)C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H22ClF3N2OS/c1-4-22(24-21-9-10-23-15(2,3)11-21)14(16(18,19)20)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3
InChIKeyMBYSRBDIFLVLSA-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.94
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine

1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 172614923) has the molecular formula C16H22ClF3N2OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID172614923
Molecular FormulaC16H22ClF3N2OS
Molecular Weight382.88 g/mol
Exact Mass382.11
IUPAC Name1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(SN1CCOC(C)(C)C1)C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H22ClF3N2OS/c1-4-22(24-21-9-10-23-15(2,3)11-21)14(16(18,19)20)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3
InChIKeyMBYSRBDIFLVLSA-UHFFFAOYSA-N
XLogP4.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine (CID 172614923) is 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine is CCN(SN1CCOC(C)(C)C1)C(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is MBYSRBDIFLVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N2OS/c1-4-22(24-21-9-10-23-15(2,3)11-21)14(16(18,19)20)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine?
1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 382.88 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,2-dimethylmorpholin-4-yl)sulfanyl-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 172614923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).