5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C15H17FN2S — CID 55044942

IUPAC5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CSc2ccccc2F)cn1
InChIInChI=1S/C15H17FN2S/c1-2-9-17-15-8-7-12(10-18-15)11-19-14-6-4-3-5-13(14)16/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyQFXUIATUSWLEEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.33
Rot. Bonds6

About 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 55044942) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID55044942
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CSc2ccccc2F)cn1
InChIInChI=1S/C15H17FN2S/c1-2-9-17-15-8-7-12(10-18-15)11-19-14-6-4-3-5-13(14)16/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyQFXUIATUSWLEEI-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63484975
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
N-propyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
CID 65041419
5-(pentylsulfanylmethyl)-N-propylpyridin-2-amine
CID 107756485
5-(difluoromethyl)-N-propylpyridin-2-amine
CID 130559266
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66051944
5-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63857257
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
5-[(4-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62194753
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 55044942) is 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(CSc2ccccc2F)cn1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is QFXUIATUSWLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-9-17-15-8-7-12(10-18-15)11-19-14-6-4-3-5-13(14)16/h3-8,10H,2,9,11H2,1H3,(H,17,18).
What are the key properties of 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55044942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).