1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

C12H13Cl2NS2 — CID 43692517

IUPAC1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H13Cl2NS2/c1-7(9-3-5-11(13)16-9)15-8(2)10-4-6-12(14)17-10/h3-8,15H,1-2H3
InChIKeyFCWVXRXKVYGKGQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP5.53
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (PubChem CID 43692517) has the molecular formula C12H13Cl2NS2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
PubChem CID43692517
Molecular FormulaC12H13Cl2NS2
Molecular Weight306.28 g/mol
Exact Mass304.99
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)s1
InChIInChI=1S/C12H13Cl2NS2/c1-7(9-3-5-11(13)16-9)15-8(2)10-4-6-12(14)17-10/h3-8,15H,1-2H3
InChIKeyFCWVXRXKVYGKGQ-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 81377961
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 115878972
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (CID 43692517) is 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)s1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The InChIKey is FCWVXRXKVYGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NS2/c1-7(9-3-5-11(13)16-9)15-8(2)10-4-6-12(14)17-10/h3-8,15H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine has a molecular weight of 306.28 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43692517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).