3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline

C14H15Cl2NS — CID 43101504

IUPAC3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2cc(Cl)cc(Cl)c2)c(C)s1
InChIInChI=1S/C14H15Cl2NS/c1-8-4-14(10(3)18-8)9(2)17-13-6-11(15)5-12(16)7-13/h4-7,9,17H,1-3H3
InChIKeyWBOHOTGUBLMTTN-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.84
Rot. Bonds3

About 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline

3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (PubChem CID 43101504) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
PubChem CID43101504
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2cc(Cl)cc(Cl)c2)c(C)s1
InChIInChI=1S/C14H15Cl2NS/c1-8-4-14(10(3)18-8)9(2)17-13-6-11(15)5-12(16)7-13/h4-7,9,17H,1-3H3
InChIKeyWBOHOTGUBLMTTN-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 60790289
4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43126565
4-chloro-1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 54965014
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 54965289
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (CID 43101504) is 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is Cc1cc(C(C)Nc2cc(Cl)cc(Cl)c2)c(C)s1.
What is the InChIKey of 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The InChIKey is WBOHOTGUBLMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8-4-14(10(3)18-8)9(2)17-13-6-11(15)5-12(16)7-13/h4-7,9,17H,1-3H3.
What are the key properties of 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline has a molecular weight of 300.25 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is sourced from PubChem (CID 43101504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).