2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine

C14H13F3N2OS — CID 43721790

IUPAC2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2OS/c1-20-13-12(3-2-8-18-13)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyVGMBNSXUPNROLL-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.31
Rot. Bonds5

About 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine

2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine (PubChem CID 43721790) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
PubChem CID43721790
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2OS/c1-20-13-12(3-2-8-18-13)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyVGMBNSXUPNROLL-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
3-bromo-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107630050
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
CID 107037935
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
CID 43721999
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
2-methoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66416306
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66411148

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine (CID 43721790) is 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine is COc1ncccc1NCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is VGMBNSXUPNROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-20-13-12(3-2-8-18-13)19-9-10-4-6-11(7-5-10)21-14(15,16)17/h2-8,19H,9H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine?
2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 314.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 43721790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).