2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine

C16H21NS — CID 105024445

IUPAC2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C16H21NS/c1-4-13-8-9-18-16(13)15(17)10-14-11(2)6-5-7-12(14)3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyVONZSMIWHFPMTH-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.17
Rot. Bonds4

About 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 105024445) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID105024445
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1c(C)cccc1C
InChIInChI=1S/C16H21NS/c1-4-13-8-9-18-16(13)15(17)10-14-11(2)6-5-7-12(14)3/h5-9,15H,4,10,17H2,1-3H3
InChIKeyVONZSMIWHFPMTH-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
1-(3-ethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 79975756
1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 79975339
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
CID 115849809
2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115842607

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 105024445) is 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is VONZSMIWHFPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-13-8-9-18-16(13)15(17)10-14-11(2)6-5-7-12(14)3/h5-9,15H,4,10,17H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105024445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).