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

C15H19NOS — CID 105024721

IUPAC2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2c(C)cccc2C)c1
InChIInChI=1S/C15H19NOS/c1-10-5-4-6-11(2)13(10)8-14(16)15-7-12(17-3)9-18-15/h4-7,9,14H,8,16H2,1-3H3
InChIKeyWZKMLLNYZOHKMN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.62
Rot. Bonds4

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

2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 105024721) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID105024721
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2c(C)cccc2C)c1
InChIInChI=1S/C15H19NOS/c1-10-5-4-6-11(2)13(10)8-14(16)15-7-12(17-3)9-18-15/h4-7,9,14H,8,16H2,1-3H3
InChIKeyWZKMLLNYZOHKMN-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285
2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105014765
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine (CID 105024721) is 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine is COc1csc(C(N)Cc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is WZKMLLNYZOHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-5-4-6-11(2)13(10)8-14(16)15-7-12(17-3)9-18-15/h4-7,9,14H,8,16H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine?
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 105024721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).