3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol

C16H17Cl2NOS — CID 64805736

IUPAC3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NOS/c1-19-16(10-20,12-5-3-2-4-6-12)11-21-15-9-13(17)7-8-14(15)18/h2-9,19-20H,10-11H2,1H3
InChIKeyPOXWGSVHOLBSSC-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.19
Rot. Bonds6

About 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol

3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64805736) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64805736
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NOS/c1-19-16(10-20,12-5-3-2-4-6-12)11-21-15-9-13(17)7-8-14(15)18/h2-9,19-20H,10-11H2,1H3
InChIKeyPOXWGSVHOLBSSC-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol (CID 64805736) is 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CSc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is POXWGSVHOLBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c1-19-16(10-20,12-5-3-2-4-6-12)11-21-15-9-13(17)7-8-14(15)18/h2-9,19-20H,10-11H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 342.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64805736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).