2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

C17H22ClNOS — CID 115844980

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(CC)s1
InChIInChI=1S/C17H22ClNOS/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyODMSJIHMYKUYIE-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.87
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115844980) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115844980
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(CC)s1
InChIInChI=1S/C17H22ClNOS/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyODMSJIHMYKUYIE-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
[2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105290102
2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115863104
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 102867017
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (CID 115844980) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1ccc(CC)s1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is ODMSJIHMYKUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-4-14-7-9-17(21-14)15(19-5-2)11-12-10-13(18)6-8-16(12)20-3/h6-10,15,19H,4-5,11H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 323.89 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115844980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).