2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol

C12H12ClNOS — CID 82120008

IUPAC2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol
SMILESNCC(O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H12ClNOS/c13-9-3-1-2-8(6-9)11-4-5-12(16-11)10(15)7-14/h1-6,10,15H,7,14H2
InChIKeyIHOHLOJXVJBAQU-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.06
Rot. Bonds3

About 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol

2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol (PubChem CID 82120008) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol
PubChem CID82120008
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol
SMILESNCC(O)c1ccc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C12H12ClNOS/c13-9-3-1-2-8(6-9)11-4-5-12(16-11)10(15)7-14/h1-6,10,15H,7,14H2
InChIKeyIHOHLOJXVJBAQU-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[5-(2-methylphenyl)thiophen-2-yl]ethanol
CID 82116281
3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
CID 79328710
1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
CID 170894587
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
CID 142536310
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340730
3-chloro-1-(5-phenylthiophen-2-yl)propane-1,2-diol
CID 171862758
3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enoic acid
CID 53412007
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363563
2-[[5-(3-chlorophenyl)thiophen-2-yl]methylidene]-3-methylbutanal
CID 79334624

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol (CID 82120008) is 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol is NCC(O)c1ccc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol?
The InChIKey is IHOHLOJXVJBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-9-3-1-2-8(6-9)11-4-5-12(16-11)10(15)7-14/h1-6,10,15H,7,14H2.
What are the key properties of 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol?
2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol has a molecular weight of 253.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(3-chlorophenyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 82120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).