1-(2-fluorophenyl)-1-thiophen-3-ylethanamine

C12H12FNS — CID 65099629

IUPAC1-(2-fluorophenyl)-1-thiophen-3-ylethanamine
SMILESCC(N)(c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNS/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3
InChIKeyLQDOAWMDSPAHBA-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.11
Rot. Bonds2

About 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine

1-(2-fluorophenyl)-1-thiophen-3-ylethanamine (PubChem CID 65099629) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-thiophen-3-ylethanamine
PubChem CID65099629
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-(2-fluorophenyl)-1-thiophen-3-ylethanamine
SMILESCC(N)(c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNS/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3
InChIKeyLQDOAWMDSPAHBA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
CID 65144889
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
CID 65099719
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 65099237
1-(2,3-difluorophenyl)-1-(4-methylphenyl)ethanamine
CID 63987756

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine (CID 65099629) is 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine is CC(N)(c1ccsc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine?
The InChIKey is LQDOAWMDSPAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-8H,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine?
1-(2-fluorophenyl)-1-thiophen-3-ylethanamine has a molecular weight of 221.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 65099629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).