N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine

C14H15FN2S — CID 63806325

IUPACN-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccccn2)c(F)c1
InChIInChI=1S/C14H15FN2S/c1-2-16-10-11-6-7-13(12(15)9-11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3
InChIKeyTXKAAJZIBDNFCW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine

N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine (PubChem CID 63806325) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
PubChem CID63806325
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC NameN-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccccn2)c(F)c1
InChIInChI=1S/C14H15FN2S/c1-2-16-10-11-6-7-13(12(15)9-11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3
InChIKeyTXKAAJZIBDNFCW-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
N-[[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813747
2-[4-(ethylaminomethyl)-2-fluorophenyl]sulfanylpyrimidine-4,6-diamine
CID 63813912
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071
N-[[4-(4-chlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805033
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
N-[(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63805505
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 63808238
N-[[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81159843
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 55240383
N-[[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63805813

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine (CID 63806325) is N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine is CCNCc1ccc(Sc2ccccn2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The InChIKey is TXKAAJZIBDNFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-2-16-10-11-6-7-13(12(15)9-11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 63806325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).