2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline

C13H13Cl2NS — CID 55198626

IUPAC2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(Cl)cc2Cl)c(C)s1
InChIInChI=1S/C13H13Cl2NS/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-6,16H,7H2,1-2H3
InChIKeyBAUZLVQRBKWYOJ-UHFFFAOYSA-N
MW286.23 g/mol
LogP5.28
Rot. Bonds3

About 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline

2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline (PubChem CID 55198626) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
PubChem CID55198626
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(Cl)cc2Cl)c(C)s1
InChIInChI=1S/C13H13Cl2NS/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-6,16H,7H2,1-2H3
InChIKeyBAUZLVQRBKWYOJ-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-nitroaniline
CID 63429548
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-fluoroaniline
CID 54977814
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
CID 114251709
3,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 63422661
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418333
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
CID 54977763
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline (CID 55198626) is 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline is Cc1cc(CNc2ccc(Cl)cc2Cl)c(C)s1.
What is the InChIKey of 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline?
The InChIKey is BAUZLVQRBKWYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline?
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline has a molecular weight of 286.23 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline is sourced from PubChem (CID 55198626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).