2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine

C12H12Cl2N2S — CID 113445815

IUPAC2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
SMILESCc1cc(Cl)c(NCc2sccc2N)cc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-7-4-9(14)11(5-8(7)13)16-6-12-10(15)2-3-17-12/h2-5,16H,6,15H2,1H3
InChIKeyGEDZQJRWTXETOW-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.56
Rot. Bonds3

About 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine

2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine (PubChem CID 113445815) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
PubChem CID113445815
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.21 g/mol
Exact Mass286.01
IUPAC Name2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
SMILESCc1cc(Cl)c(NCc2sccc2N)cc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-7-4-9(14)11(5-8(7)13)16-6-12-10(15)2-3-17-12/h2-5,16H,6,15H2,1H3
InChIKeyGEDZQJRWTXETOW-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
CID 66384918
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
4-[(3-aminothiophen-2-yl)methylamino]-3-chlorobenzonitrile
CID 107807636
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
2-[(4,5-dimethyl-2-nitroanilino)methyl]thiophen-3-amine
CID 66385600
6-chloro-N-[(3-methylthiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 43685815
2-[(3,5-dichloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 107572996
2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline
CID 104726419
2,5-dichloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115755781

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine (CID 113445815) is 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine is Cc1cc(Cl)c(NCc2sccc2N)cc1Cl.
What is the InChIKey of 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine?
The InChIKey is GEDZQJRWTXETOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7-4-9(14)11(5-8(7)13)16-6-12-10(15)2-3-17-12/h2-5,16H,6,15H2,1H3.
What are the key properties of 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine?
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine has a molecular weight of 287.21 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 113445815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).