1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

C16H20FNS — CID 105377421

IUPAC1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(F)ccc2C)NC)s1
InChIInChI=1S/C16H20FNS/c1-4-14-7-8-16(19-14)15(18-3)10-12-9-13(17)6-5-11(12)2/h5-9,15,18H,4,10H2,1-3H3
InChIKeyYCPXDNGLVBUICQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine

1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105377421) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105377421
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(F)ccc2C)NC)s1
InChIInChI=1S/C16H20FNS/c1-4-14-7-8-16(19-14)15(18-3)10-12-9-13(17)6-5-11(12)2/h5-9,15,18H,4,10H2,1-3H3
InChIKeyYCPXDNGLVBUICQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051139
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115863104
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
CID 105373840
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105377421) is 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CCc1ccc(C(Cc2cc(F)ccc2C)NC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is YCPXDNGLVBUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-4-14-7-8-16(19-14)15(18-3)10-12-9-13(17)6-5-11(12)2/h5-9,15,18H,4,10H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105377421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).