1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine

C14H16FNS — CID 114068567

IUPAC1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1-c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-6-7-17-14(9)13-8-11(15)4-5-12(13)10(2)16-3/h4-8,10,16H,1-3H3
InChIKeyPGGPEXZTXFPPJK-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine

1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine (PubChem CID 114068567) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
PubChem CID114068567
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1-c1sccc1C
InChIInChI=1S/C14H16FNS/c1-9-6-7-17-14(9)13-8-11(15)4-5-12(13)10(2)16-3/h4-8,10,16H,1-3H3
InChIKeyPGGPEXZTXFPPJK-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-3-methylthiophene
CID 70359912
N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
CID 114078502
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine
CID 114068507
1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195555
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine (CID 114068567) is 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1-c1sccc1C.
What is the InChIKey of 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine?
The InChIKey is PGGPEXZTXFPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-9-6-7-17-14(9)13-8-11(15)4-5-12(13)10(2)16-3/h4-8,10,16H,1-3H3.
What are the key properties of 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine?
1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine has a molecular weight of 249.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 114068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).