N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine

C12H13FN2S — CID 79712572

IUPACN-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c1-2-14-12(9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8,12,14H,2H2,1H3
InChIKeyDVWAWEZPQFOVIA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.98
Rot. Bonds4

About N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine

N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 79712572) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID79712572
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC NameN-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c1-2-14-12(9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8,12,14H,2H2,1H3
InChIKeyDVWAWEZPQFOVIA-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 79706480
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 106878151
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine (CID 79712572) is N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is DVWAWEZPQFOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-14-12(9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8,12,14H,2H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine?
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 236.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 79712572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).