2-(3-chloroanilino)-2-thiophen-2-ylethanol

C12H12ClNOS — CID 61346766

IUPAC2-(3-chloroanilino)-2-thiophen-2-ylethanol
SMILESOCC(Nc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNOS/c13-9-3-1-4-10(7-9)14-11(8-15)12-5-2-6-16-12/h1-7,11,14-15H,8H2
InChIKeyKIYOPDKIBNLGIE-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-chloroanilino)-2-thiophen-2-ylethanol

2-(3-chloroanilino)-2-thiophen-2-ylethanol (PubChem CID 61346766) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-thiophen-2-ylethanol
PubChem CID61346766
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-(3-chloroanilino)-2-thiophen-2-ylethanol
SMILESOCC(Nc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNOS/c13-9-3-1-4-10(7-9)14-11(8-15)12-5-2-6-16-12/h1-7,11,14-15H,8H2
InChIKeyKIYOPDKIBNLGIE-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
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3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 81366139
3-(3-chloroanilino)-1,3-bis(4-chlorophenyl)propan-1-ol
CID 132590818
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-thiophen-2-ylethanol?
The IUPAC name of 2-(3-chloroanilino)-2-thiophen-2-ylethanol (CID 61346766) is 2-(3-chloroanilino)-2-thiophen-2-ylethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-thiophen-2-ylethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-thiophen-2-ylethanol is OCC(Nc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chloroanilino)-2-thiophen-2-ylethanol?
The InChIKey is KIYOPDKIBNLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-9-3-1-4-10(7-9)14-11(8-15)12-5-2-6-16-12/h1-7,11,14-15H,8H2.
What are the key properties of 2-(3-chloroanilino)-2-thiophen-2-ylethanol?
2-(3-chloroanilino)-2-thiophen-2-ylethanol has a molecular weight of 253.75 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-thiophen-2-ylethanol is sourced from PubChem (CID 61346766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).