4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline

C13H14ClNS — CID 43093280

IUPAC4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1cc(Cl)ccc1NC(C)c1cccs1
InChIInChI=1S/C13H14ClNS/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyFXJDUWFGCDBODA-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.88
Rot. Bonds3

About 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline

4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43093280) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43093280
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCc1cc(Cl)ccc1NC(C)c1cccs1
InChIInChI=1S/C13H14ClNS/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3
InChIKeyFXJDUWFGCDBODA-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
2-chloro-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 42909509
4-chloro-2-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43766577
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline (CID 43093280) is 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline is Cc1cc(Cl)ccc1NC(C)c1cccs1.
What is the InChIKey of 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is FXJDUWFGCDBODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline?
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 251.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43093280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).