3-(4-ethylphenyl)-5-methylthiophen-2-amine

C13H15NS — CID 82366011

IUPAC3-(4-ethylphenyl)-5-methylthiophen-2-amine
SMILESCCc1ccc(-c2cc(C)sc2N)cc1
InChIInChI=1S/C13H15NS/c1-3-10-4-6-11(7-5-10)12-8-9(2)15-13(12)14/h4-8H,3,14H2,1-2H3
InChIKeyWKZBYSUNYNOILT-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.87
Rot. Bonds2

About 3-(4-ethylphenyl)-5-methylthiophen-2-amine

3-(4-ethylphenyl)-5-methylthiophen-2-amine (PubChem CID 82366011) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-methylthiophen-2-amine
PubChem CID82366011
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name3-(4-ethylphenyl)-5-methylthiophen-2-amine
SMILESCCc1ccc(-c2cc(C)sc2N)cc1
InChIInChI=1S/C13H15NS/c1-3-10-4-6-11(7-5-10)12-8-9(2)15-13(12)14/h4-8H,3,14H2,1-2H3
InChIKeyWKZBYSUNYNOILT-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
4-amino-3-(4-ethylphenyl)phenol
CID 172675036
5-(4-ethylphenyl)-2-methylaniline
CID 61025757
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
5-ethyl-3-(4-fluoro-3-methylphenyl)thiophen-2-amine
CID 82366217
2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
CID 107615744
2-(4-ethylphenyl)-5-[5-[5-[5-[5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 139982263
4-(4-ethylphenyl)-3-methylphenol
CID 83130010
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(4-ethylphenyl)-5-methylthiophen-2-amine (CID 82366011) is 3-(4-ethylphenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(4-ethylphenyl)-5-methylthiophen-2-amine is CCc1ccc(-c2cc(C)sc2N)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-methylthiophen-2-amine?
The InChIKey is WKZBYSUNYNOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-10-4-6-11(7-5-10)12-8-9(2)15-13(12)14/h4-8H,3,14H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-5-methylthiophen-2-amine?
3-(4-ethylphenyl)-5-methylthiophen-2-amine has a molecular weight of 217.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82366011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).