1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

C12H11Cl2NS — CID 62607560

IUPAC1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11H,7,15H2
InChIKeyLGCRRKKLCGJNCH-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine

1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 62607560) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID62607560
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11H,7,15H2
InChIKeyLGCRRKKLCGJNCH-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
2-(5-chlorothiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716425
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 62607560) is 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is LGCRRKKLCGJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11H,7,15H2.
What are the key properties of 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine?
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 272.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 62607560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).