2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine

C13H15ClN2OS — CID 66387695

IUPAC2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
SMILESCOc1cc(Cl)c(C)cc1NCc1sccc1N
InChIInChI=1S/C13H15ClN2OS/c1-8-5-11(12(17-2)6-9(8)14)16-7-13-10(15)3-4-18-13/h3-6,16H,7,15H2,1-2H3
InChIKeyFZRRAGNRWODVAU-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.91
Rot. Bonds4

About 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine

2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine (PubChem CID 66387695) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
PubChem CID66387695
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
SMILESCOc1cc(Cl)c(C)cc1NCc1sccc1N
InChIInChI=1S/C13H15ClN2OS/c1-8-5-11(12(17-2)6-9(8)14)16-7-13-10(15)3-4-18-13/h3-6,16H,7,15H2,1-2H3
InChIKeyFZRRAGNRWODVAU-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
2-[(4,5-dimethyl-2-nitroanilino)methyl]thiophen-3-amine
CID 66385600
4-chloro-2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 99586504
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408910
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine (CID 66387695) is 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine is COc1cc(Cl)c(C)cc1NCc1sccc1N.
What is the InChIKey of 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine?
The InChIKey is FZRRAGNRWODVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8-5-11(12(17-2)6-9(8)14)16-7-13-10(15)3-4-18-13/h3-6,16H,7,15H2,1-2H3.
What are the key properties of 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine?
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine has a molecular weight of 282.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).