5-(3-chlorophenyl)-N-ethylthiophen-3-amine

C12H12ClNS — CID 10752382

IUPAC5-(3-chlorophenyl)-N-ethylthiophen-3-amine
SMILESCCNc1csc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H12ClNS/c1-2-14-11-7-12(15-8-11)9-4-3-5-10(13)6-9/h3-8,14H,2H2,1H3
InChIKeyWCUNIMXSYWIJRV-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.50
Rot. Bonds3

About 5-(3-chlorophenyl)-N-ethylthiophen-3-amine

5-(3-chlorophenyl)-N-ethylthiophen-3-amine (PubChem CID 10752382) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-ethylthiophen-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-ethylthiophen-3-amine
PubChem CID10752382
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name5-(3-chlorophenyl)-N-ethylthiophen-3-amine
SMILESCCNc1csc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H12ClNS/c1-2-14-11-7-12(15-8-11)9-4-3-5-10(13)6-9/h3-8,14H,2H2,1H3
InChIKeyWCUNIMXSYWIJRV-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-ethylthiophen-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-ethylthiophen-3-amine (CID 10752382) is 5-(3-chlorophenyl)-N-ethylthiophen-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-ethylthiophen-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-ethylthiophen-3-amine is CCNc1csc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-ethylthiophen-3-amine?
The InChIKey is WCUNIMXSYWIJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-2-14-11-7-12(15-8-11)9-4-3-5-10(13)6-9/h3-8,14H,2H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-N-ethylthiophen-3-amine?
5-(3-chlorophenyl)-N-ethylthiophen-3-amine has a molecular weight of 237.76 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-ethylthiophen-3-amine is sourced from PubChem (CID 10752382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).