5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine

C14H14F2N2O2S — CID 84593683

IUPAC5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCS(=O)c1ccc(CNc2ccc(OC(F)F)cn2)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-21(19)12-5-2-10(3-6-12)8-17-13-7-4-11(9-18-13)20-14(15)16/h2-7,9,14H,8H2,1H3,(H,17,18)
InChIKeyLDKBTHBXWYMVIZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.03
Rot. Bonds6

About 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine

5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (PubChem CID 84593683) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
PubChem CID84593683
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCS(=O)c1ccc(CNc2ccc(OC(F)F)cn2)cc1
InChIInChI=1S/C14H14F2N2O2S/c1-21(19)12-5-2-10(3-6-12)8-17-13-7-4-11(9-18-13)20-14(15)16/h2-7,9,14H,8H2,1H3,(H,17,18)
InChIKeyLDKBTHBXWYMVIZ-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
CID 71914515
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
5-(difluoromethoxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyridin-2-amine
CID 133424320
N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150
5-chloro-2-methoxy-N-[(4-methylsulfinylphenyl)methyl]pyrimidin-4-amine
CID 84589328
5-(difluoromethoxy)pyridine-2-sulfinic acid
CID 146013721

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (CID 84593683) is 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is CS(=O)c1ccc(CNc2ccc(OC(F)F)cn2)cc1.
What is the InChIKey of 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The InChIKey is LDKBTHBXWYMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-21(19)12-5-2-10(3-6-12)8-17-13-7-4-11(9-18-13)20-14(15)16/h2-7,9,14H,8H2,1H3,(H,17,18).
What are the key properties of 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine has a molecular weight of 312.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 84593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).