3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol

C17H20ClNOS — CID 64806091

IUPAC3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNOS/c1-2-19-17(12-20,14-7-4-3-5-8-14)13-21-16-10-6-9-15(18)11-16/h3-11,19-20H,2,12-13H2,1H3
InChIKeyRNCQHGYYDINMLD-UHFFFAOYSA-N
MW321.87 g/mol
LogP3.93
Rot. Bonds7

About 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol

3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol (PubChem CID 64806091) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol
PubChem CID64806091
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNOS/c1-2-19-17(12-20,14-7-4-3-5-8-14)13-21-16-10-6-9-15(18)11-16/h3-11,19-20H,2,12-13H2,1H3
InChIKeyRNCQHGYYDINMLD-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol 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 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol (CID 64806091) is 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol is CCNC(CO)(CSc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol?
The InChIKey is RNCQHGYYDINMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-19-17(12-20,14-7-4-3-5-8-14)13-21-16-10-6-9-15(18)11-16/h3-11,19-20H,2,12-13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol?
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol has a molecular weight of 321.87 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64806091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).