2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine

C18H25NS — CID 81156303

IUPAC2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1sc(C)cc1C
InChIInChI=1S/C18H25NS/c1-6-19-17(18-14(4)9-15(5)20-18)11-16-8-7-12(2)13(3)10-16/h7-10,17,19H,6,11H2,1-5H3
InChIKeyQUKOVLBIHAZCKR-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.88
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine

2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine (PubChem CID 81156303) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
PubChem CID81156303
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1sc(C)cc1C
InChIInChI=1S/C18H25NS/c1-6-19-17(18-14(4)9-15(5)20-18)11-16-8-7-12(2)13(3)10-16/h7-10,17,19H,6,11H2,1-5H3
InChIKeyQUKOVLBIHAZCKR-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 81156548
N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687
N-[1-(3,5-dimethylthiophen-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81156314
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 102828563
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163554
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine (CID 81156303) is 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(C)c(C)c1)c1sc(C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is QUKOVLBIHAZCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-6-19-17(18-14(4)9-15(5)20-18)11-16-8-7-12(2)13(3)10-16/h7-10,17,19H,6,11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine?
2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 81156303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).