1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H21NOS — CID 115829185

IUPAC1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1csc(C(N)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H21NOS/c1-10-5-11(2)14(12(3)6-10)8-15(17)16-7-13(18-4)9-19-16/h5-7,9,15H,8,17H2,1-4H3
InChIKeyOHJWYPLXKLTZSV-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115829185) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115829185
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1csc(C(N)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H21NOS/c1-10-5-11(2)14(12(3)6-10)8-15(17)16-7-13(18-4)9-19-16/h5-7,9,15H,8,17H2,1-4H3
InChIKeyOHJWYPLXKLTZSV-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115829185) is 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is COc1csc(C(N)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is OHJWYPLXKLTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-5-11(2)14(12(3)6-10)8-15(17)16-7-13(18-4)9-19-16/h5-7,9,15H,8,17H2,1-4H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115829185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).