2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine

C14H17NOS — CID 79802123

IUPAC2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1cscc1C
InChIInChI=1S/C14H17NOS/c1-10-8-17-9-12(10)13(15)7-11-5-3-4-6-14(11)16-2/h3-6,8-9,13H,7,15H2,1-2H3
InChIKeyVHOHCAMQIVINEF-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine

2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 79802123) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID79802123
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1cscc1C
InChIInChI=1S/C14H17NOS/c1-10-8-17-9-12(10)13(15)7-11-5-3-4-6-14(11)16-2/h3-6,8-9,13H,7,15H2,1-2H3
InChIKeyVHOHCAMQIVINEF-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251958
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281
2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine (CID 79802123) is 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine is COc1ccccc1CC(N)c1cscc1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is VHOHCAMQIVINEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-8-17-9-12(10)13(15)7-11-5-3-4-6-14(11)16-2/h3-6,8-9,13H,7,15H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79802123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).