2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride

C18H20Cl2N2OS — CID 170892547

IUPAC2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride
SMILESCl.Cn1c(Sc2ccccc2Cl)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H19ClN2OS.ClH/c1-21-16-8-4-2-6-13(16)14(10-12(20)11-22)18(21)23-17-9-5-3-7-15(17)19;/h2-9,12,22H,10-11,20H2,1H3;1H
InChIKeyRSBXRILSPORHDT-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.27
Rot. Bonds5

About 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride

2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride (PubChem CID 170892547) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride
PubChem CID170892547
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC Name2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride
SMILESCl.Cn1c(Sc2ccccc2Cl)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H19ClN2OS.ClH/c1-21-16-8-4-2-6-13(16)14(10-12(20)11-22)18(21)23-17-9-5-3-7-15(17)19;/h2-9,12,22H,10-11,20H2,1H3;1H
InChIKeyRSBXRILSPORHDT-UHFFFAOYSA-N
XLogP4.27
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
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2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
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(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
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ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
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2-amino-3-phenylpropan-1-ol;methanamine
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2-amino-3-carbazol-9-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride (CID 170892547) is 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride is Cl.Cn1c(Sc2ccccc2Cl)c(CC(N)CO)c2ccccc21.
What is the InChIKey of 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The InChIKey is RSBXRILSPORHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS.ClH/c1-21-16-8-4-2-6-13(16)14(10-12(20)11-22)18(21)23-17-9-5-3-7-15(17)19;/h2-9,12,22H,10-11,20H2,1H3;1H.
What are the key properties of 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride?
2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride has a molecular weight of 383.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).