3-(3-chlorothiophen-2-yl)-5-methylaniline

C11H10ClNS — CID 107579738

IUPAC3-(3-chlorothiophen-2-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2sccc2Cl)c1
InChIInChI=1S/C11H10ClNS/c1-7-4-8(6-9(13)5-7)11-10(12)2-3-14-11/h2-6H,13H2,1H3
InChIKeyKCPBASMAMJOWJQ-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.96
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)-5-methylaniline

3-(3-chlorothiophen-2-yl)-5-methylaniline (PubChem CID 107579738) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-5-methylaniline
PubChem CID107579738
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name3-(3-chlorothiophen-2-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2sccc2Cl)c1
InChIInChI=1S/C11H10ClNS/c1-7-4-8(6-9(13)5-7)11-10(12)2-3-14-11/h2-6H,13H2,1H3
InChIKeyKCPBASMAMJOWJQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512
5-(3-aminothiophen-2-yl)benzene-1,3-diamine
CID 154128750
3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
CID 107579824
3-(2,3-dichlorophenyl)-5-methylaniline
CID 107579462
3-[3-(3-amino-5-methylphenyl)-5-[3-methyl-5-(methylamino)phenyl]phenyl]-5-methylaniline
CID 145179763
[(3-chlorothiophen-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286685
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550
2-[bromo-(3,5-dimethylphenyl)methyl]-3-chlorothiophene
CID 80530329
3,5-dimethylaniline;hydrofluoride
CID 158073989
4-chloro-5-(3,5-dimethylphenyl)-1,2-thiazol-3-amine
CID 83912434
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 80645378
3-methyl-5-(1,3-thiazol-5-yl)aniline
CID 58456365

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-5-methylaniline?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-5-methylaniline (CID 107579738) is 3-(3-chlorothiophen-2-yl)-5-methylaniline.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-5-methylaniline?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-5-methylaniline is Cc1cc(N)cc(-c2sccc2Cl)c1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-5-methylaniline?
The InChIKey is KCPBASMAMJOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-4-8(6-9(13)5-7)11-10(12)2-3-14-11/h2-6H,13H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-5-methylaniline?
3-(3-chlorothiophen-2-yl)-5-methylaniline has a molecular weight of 223.73 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-5-methylaniline is sourced from PubChem (CID 107579738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).