2,5-dichloro-N-(thiophen-3-ylmethyl)aniline

C11H9Cl2NS — CID 29267007

IUPAC2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2ccsc2)c1
InChIInChI=1S/C11H9Cl2NS/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeySBHOUDMUFLLPSN-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.67
Rot. Bonds3

About 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline

2,5-dichloro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 29267007) has the molecular formula C11H9Cl2NS and a molecular weight of 258.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
PubChem CID29267007
Molecular FormulaC11H9Cl2NS
Molecular Weight258.17 g/mol
Exact Mass256.98
IUPAC Name2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2ccsc2)c1
InChIInChI=1S/C11H9Cl2NS/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeySBHOUDMUFLLPSN-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 78922167
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline (CID 29267007) is 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline is Clc1ccc(Cl)c(NCc2ccsc2)c1.
What is the InChIKey of 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is SBHOUDMUFLLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NS/c12-9-1-2-10(13)11(5-9)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline?
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 258.17 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 29267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).