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

C13H14FNS — CID 102834395

IUPAC1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine
SMILESCc1sccc1-c1cc(C(C)N)ccc1F
InChIInChI=1S/C13H14FNS/c1-8(15)10-3-4-13(14)12(7-10)11-5-6-16-9(11)2/h3-8H,15H2,1-2H3
InChIKeyYLXYFKCPQSIXBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.88
Rot. Bonds2

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

1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine (PubChem CID 102834395) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine
PubChem CID102834395
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine
SMILESCc1sccc1-c1cc(C(C)N)ccc1F
InChIInChI=1S/C13H14FNS/c1-8(15)10-3-4-13(14)12(7-10)11-5-6-16-9(11)2/h3-8H,15H2,1-2H3
InChIKeyYLXYFKCPQSIXBR-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102831759
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732293
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
4-(1-aminoethyl)-2-(4-chlorophenyl)phenol
CID 115046197
1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472
(1S)-1-[3-fluoro-4-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 78938010

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine (CID 102834395) is 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine is Cc1sccc1-c1cc(C(C)N)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine?
The InChIKey is YLXYFKCPQSIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8(15)10-3-4-13(14)12(7-10)11-5-6-16-9(11)2/h3-8H,15H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine?
1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine is sourced from PubChem (CID 102834395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).