2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol

C13H14ClNO2S — CID 60898689

IUPAC2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
SMILESCOc1ccc(Cl)cc1NCC(O)c1cccs1
InChIInChI=1S/C13H14ClNO2S/c1-17-12-5-4-9(14)7-10(12)15-8-11(16)13-3-2-6-18-13/h2-7,11,15-16H,8H2,1H3
InChIKeyJUQAQOQJJKXAHC-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.56
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol

2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol (PubChem CID 60898689) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
PubChem CID60898689
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
SMILESCOc1ccc(Cl)cc1NCC(O)c1cccs1
InChIInChI=1S/C13H14ClNO2S/c1-17-12-5-4-9(14)7-10(12)15-8-11(16)13-3-2-6-18-13/h2-7,11,15-16H,8H2,1H3
InChIKeyJUQAQOQJJKXAHC-UHFFFAOYSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]benzonitrile
CID 64689295
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052115
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol (CID 60898689) is 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol is COc1ccc(Cl)cc1NCC(O)c1cccs1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol?
The InChIKey is JUQAQOQJJKXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-17-12-5-4-9(14)7-10(12)15-8-11(16)13-3-2-6-18-13/h2-7,11,15-16H,8H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol?
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol has a molecular weight of 283.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 60898689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).