1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine

C16H21NS — CID 43287935

IUPAC1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NS/c1-5-17-13(4)15-8-9-16(18-15)14-10-11(2)6-7-12(14)3/h6-10,13,17H,5H2,1-4H3
InChIKeySDIWQJLBUPANLA-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.70
Rot. Bonds4

About 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine

1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine (PubChem CID 43287935) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
PubChem CID43287935
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C16H21NS/c1-5-17-13(4)15-8-9-16(18-15)14-10-11(2)6-7-12(14)3/h6-10,13,17H,5H2,1-4H3
InChIKeySDIWQJLBUPANLA-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
5-(2,5-dimethylphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812054

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine (CID 43287935) is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(C)ccc2C)s1.
What is the InChIKey of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine?
The InChIKey is SDIWQJLBUPANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-5-17-13(4)15-8-9-16(18-15)14-10-11(2)6-7-12(14)3/h6-10,13,17H,5H2,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine?
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine is sourced from PubChem (CID 43287935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).