N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine

C16H20FNS — CID 105119949

IUPACN-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCNC(CCCc1cccs1)c1ccccc1F
InChIInChI=1S/C16H20FNS/c1-2-18-16(14-9-3-4-10-15(14)17)11-5-7-13-8-6-12-19-13/h3-4,6,8-10,12,16,18H,2,5,7,11H2,1H3
InChIKeyUTPPJIYHUSPDKR-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.56
Rot. Bonds7

About N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine

N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105119949) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105119949
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCNC(CCCc1cccs1)c1ccccc1F
InChIInChI=1S/C16H20FNS/c1-2-18-16(14-9-3-4-10-15(14)17)11-5-7-13-8-6-12-19-13/h3-4,6,8-10,12,16,18H,2,5,7,11H2,1H3
InChIKeyUTPPJIYHUSPDKR-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine (CID 105119949) is N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine is CCNC(CCCc1cccs1)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is UTPPJIYHUSPDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-2-18-16(14-9-3-4-10-15(14)17)11-5-7-13-8-6-12-19-13/h3-4,6,8-10,12,16,18H,2,5,7,11H2,1H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine?
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105119949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).