2-(2,5-dimethylthiophen-3-yl)aniline

C12H13NS — CID 13413497

IUPAC2-(2,5-dimethylthiophen-3-yl)aniline
SMILESCc1cc(-c2ccccc2N)c(C)s1
InChIInChI=1S/C12H13NS/c1-8-7-11(9(2)14-8)10-5-3-4-6-12(10)13/h3-7H,13H2,1-2H3
InChIKeyDEXUBBAVONRDIM-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.61
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)aniline

2-(2,5-dimethylthiophen-3-yl)aniline (PubChem CID 13413497) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)aniline.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)aniline
PubChem CID13413497
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)aniline
SMILESCc1cc(-c2ccccc2N)c(C)s1
InChIInChI=1S/C12H13NS/c1-8-7-11(9(2)14-8)10-5-3-4-6-12(10)13/h3-7H,13H2,1-2H3
InChIKeyDEXUBBAVONRDIM-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(Thiophen-2-yl)benzene-1,2-diamine
CID 13007805
4-(5-(4-Aminophenyl)thiophen-2-yl)benzenamine
CID 21788024
4-(Thiophen-2-yl)aniline
CID 1072474
4-Thiophen-3-ylbenzene-1,2-diamine
CID 13007806
4-(Benzo[b]thiophen-2-yl)aniline
CID 4127352
2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
Benzo(b)thiophen-4-ylamine
CID 298484
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385
2-[2-(Ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261407
4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
CID 53330119
N-(2-propan-2-ylphenyl)thiophene-2-sulfonamide
CID 1092818

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)aniline?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)aniline (CID 13413497) is 2-(2,5-dimethylthiophen-3-yl)aniline.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)aniline?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)aniline is Cc1cc(-c2ccccc2N)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)aniline?
The InChIKey is DEXUBBAVONRDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-7-11(9(2)14-8)10-5-3-4-6-12(10)13/h3-7H,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)aniline?
2-(2,5-dimethylthiophen-3-yl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)aniline is sourced from PubChem (CID 13413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).