N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine

C16H20FNS — CID 105374183

IUPACN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cscc1C
InChIInChI=1S/C16H20FNS/c1-4-18-16(15-10-19-9-12(15)3)8-13-7-14(17)6-5-11(13)2/h5-7,9-10,16,18H,4,8H2,1-3H3
InChIKeyWMGSUOHLDHILOT-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.40
Rot. Bonds5

About N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 105374183) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID105374183
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)c1cscc1C
InChIInChI=1S/C16H20FNS/c1-4-18-16(15-10-19-9-12(15)3)8-13-7-14(17)6-5-11(13)2/h5-7,9-10,16,18H,4,8H2,1-3H3
InChIKeyWMGSUOHLDHILOT-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2,6-difluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374134
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanamine
CID 105377055
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374281
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377291
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 105373892
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine (CID 105374183) is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine is CCNC(Cc1cc(F)ccc1C)c1cscc1C.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is WMGSUOHLDHILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-4-18-16(15-10-19-9-12(15)3)8-13-7-14(17)6-5-11(13)2/h5-7,9-10,16,18H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine?
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 105374183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).