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

C17H22FNS — CID 105051139

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(CC)s1
InChIInChI=1S/C17H22FNS/c1-4-15-8-9-17(20-15)16(19-5-2)11-13-6-7-14(18)10-12(13)3/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyYBHWGYXAWZIFKO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.65
Rot. Bonds6

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

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051139) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051139
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1ccc(CC)s1
InChIInChI=1S/C17H22FNS/c1-4-15-8-9-17(20-15)16(19-5-2)11-13-6-7-14(18)10-12(13)3/h6-10,16,19H,4-5,11H2,1-3H3
InChIKeyYBHWGYXAWZIFKO-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 102867017
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 105051078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051139) is N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is YBHWGYXAWZIFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-4-15-8-9-17(20-15)16(19-5-2)11-13-6-7-14(18)10-12(13)3/h6-10,16,19H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).