1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C17H23NOS — CID 81156548

IUPAC1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1sc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-5-18-16(17-12(2)10-13(3)20-17)11-14-6-8-15(19-4)9-7-14/h6-10,16,18H,5,11H2,1-4H3
InChIKeyAEYHKLCJWIKROU-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.27
Rot. Bonds6

About 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 81156548) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID81156548
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1sc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-5-18-16(17-12(2)10-13(3)20-17)11-14-6-8-15(19-4)9-7-14/h6-10,16,18H,5,11H2,1-4H3
InChIKeyAEYHKLCJWIKROU-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 81156303
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 65239260
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61065176
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107988800
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 81156548) is 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is AEYHKLCJWIKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-18-16(17-12(2)10-13(3)20-17)11-14-6-8-15(19-4)9-7-14/h6-10,16,18H,5,11H2,1-4H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81156548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).