1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C15H17FN2S — CID 75482348

IUPAC1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCSc1ccc(C(C)NCc2cccnc2)cc1F
InChIInChI=1S/C15H17FN2S/c1-11(18-10-12-4-3-7-17-9-12)13-5-6-15(19-2)14(16)8-13/h3-9,11,18H,10H2,1-2H3
InChIKeyYVCQDNKZKHDUTQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 75482348) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID75482348
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCSc1ccc(C(C)NCc2cccnc2)cc1F
InChIInChI=1S/C15H17FN2S/c1-11(18-10-12-4-3-7-17-9-12)13-5-6-15(19-2)14(16)8-13/h3-9,11,18H,10H2,1-2H3
InChIKeyYVCQDNKZKHDUTQ-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 94535067

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 75482348) is 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is CSc1ccc(C(C)NCc2cccnc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is YVCQDNKZKHDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-11(18-10-12-4-3-7-17-9-12)13-5-6-15(19-2)14(16)8-13/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 75482348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).