2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol

C9H14ClNOS — CID 82286142

IUPAC2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(2)11-7(5-12)8-3-4-9(10)13-8/h3-4,6-7,11-12H,5H2,1-2H3
InChIKeyYQCWJYIOOMACEO-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.43
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol

2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 82286142) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
PubChem CID82286142
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-6(2)11-7(5-12)8-3-4-9(10)13-8/h3-4,6-7,11-12H,5H2,1-2H3
InChIKeyYQCWJYIOOMACEO-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115894315
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
1-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol (CID 82286142) is 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is YQCWJYIOOMACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-6(2)11-7(5-12)8-3-4-9(10)13-8/h3-4,6-7,11-12H,5H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 219.74 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 82286142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).