2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol

C13H14ClNOS — CID 60896334

IUPAC2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
SMILESCc1c(Cl)cccc1NCC(O)c1cccs1
InChIInChI=1S/C13H14ClNOS/c1-9-10(14)4-2-5-11(9)15-8-12(16)13-6-3-7-17-13/h2-7,12,15-16H,8H2,1H3
InChIKeyKELASYYMYFVCKT-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.86
Rot. Bonds4

About 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol

2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol (PubChem CID 60896334) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
PubChem CID60896334
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
SMILESCc1c(Cl)cccc1NCC(O)c1cccs1
InChIInChI=1S/C13H14ClNOS/c1-9-10(14)4-2-5-11(9)15-8-12(16)13-6-3-7-17-13/h2-7,12,15-16H,8H2,1H3
InChIKeyKELASYYMYFVCKT-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
(2R)-1-(3-chloro-2-methylanilino)propan-2-ol
CID 39240251
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60896734
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
CID 63667106
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
3-chloro-N-(2,2-diphenylethyl)-2-methylaniline
CID 23994385

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol (CID 60896334) is 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol is Cc1c(Cl)cccc1NCC(O)c1cccs1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol?
The InChIKey is KELASYYMYFVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-10(14)4-2-5-11(9)15-8-12(16)13-6-3-7-17-13/h2-7,12,15-16H,8H2,1H3.
What are the key properties of 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol?
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol has a molecular weight of 267.78 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 60896334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).