1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine

C12H12FNS — CID 43154255

IUPAC1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C12H12FNS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-8H,14H2,1H3
InChIKeyUBGQGJSUBVUEOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.57
Rot. Bonds2

About 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine

1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine (PubChem CID 43154255) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
PubChem CID43154255
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C12H12FNS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-8H,14H2,1H3
InChIKeyUBGQGJSUBVUEOT-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluorophenyl)thiophen-2-amine
CID 20829953
1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
CID 82541591
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
4-[5-(1-aminoethyl)thiophen-2-yl]phenol
CID 82542128
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053
1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
CID 82542221
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine (CID 43154255) is 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine is CC(N)c1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine?
The InChIKey is UBGQGJSUBVUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-8H,14H2,1H3.
What are the key properties of 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine?
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 43154255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).