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

C16H18ClNOS — CID 64806507

IUPAC3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNOS/c1-18-16(11-19,13-6-3-2-4-7-13)12-20-15-9-5-8-14(17)10-15/h2-10,18-19H,11-12H2,1H3
InChIKeyHYQPLLLHLPNBFK-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.54
Rot. Bonds6

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

3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64806507) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64806507
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNOS/c1-18-16(11-19,13-6-3-2-4-7-13)12-20-15-9-5-8-14(17)10-15/h2-10,18-19H,11-12H2,1H3
InChIKeyHYQPLLLHLPNBFK-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol (CID 64806507) is 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CSc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is HYQPLLLHLPNBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-18-16(11-19,13-6-3-2-4-7-13)12-20-15-9-5-8-14(17)10-15/h2-10,18-19H,11-12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol?
3-(3-chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 307.85 g/mol, XLogP of 3.54, 6 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-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64806507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).