2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C16H20FNOS — CID 115842301

IUPAC2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C16H20FNOS/c1-4-12-6-7-13(20-12)10-15(18-2)11-5-8-16(19-3)14(17)9-11/h5-9,15,18H,4,10H2,1-3H3
InChIKeyKEQATYWXMWVJKP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.96
Rot. Bonds6

About 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 115842301) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID115842301
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(OC)c(F)c2)s1
InChIInChI=1S/C16H20FNOS/c1-4-12-6-7-13(20-12)10-15(18-2)11-5-8-16(19-3)14(17)9-11/h5-9,15,18H,4,10H2,1-3H3
InChIKeyKEQATYWXMWVJKP-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
[1-(3,4-difluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105197122
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
1-(3-chloro-4-iodophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103214976
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 115842301) is 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(OC)c(F)c2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is KEQATYWXMWVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-4-12-6-7-13(20-12)10-15(18-2)11-5-8-16(19-3)14(17)9-11/h5-9,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115842301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).