N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine

C17H23NOS — CID 106682372

IUPACN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-5-18-15(10-14-6-7-20-11-14)17-13(3)8-12(2)9-16(17)19-4/h6-9,11,15,18H,5,10H2,1-4H3
InChIKeyFWIHUMJMWOJOIR-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.27
Rot. Bonds6

About N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine (PubChem CID 106682372) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
PubChem CID106682372
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-5-18-15(10-14-6-7-20-11-14)17-13(3)8-12(2)9-16(17)19-4/h6-9,11,15,18H,5,10H2,1-4H3
InChIKeyFWIHUMJMWOJOIR-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

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
[1-(3-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297667

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine (CID 106682372) is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine?
The InChIKey is FWIHUMJMWOJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-18-15(10-14-6-7-20-11-14)17-13(3)8-12(2)9-16(17)19-4/h6-9,11,15,18H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine 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 N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106682372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).