[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

C14H14F2N2S — CID 81052393

IUPAC[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1
InChIInChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3
InChIKeyBBPNESDYIMLCTR-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.59
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81052393) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81052393
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1
InChIInChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3
InChIKeyBBPNESDYIMLCTR-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
[4-(4-tert-butylphenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81037160
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356
[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63757028
4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
CID 55080102
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
4-(2-fluorophenyl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053322
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809424

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (CID 81052393) is [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is BBPNESDYIMLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3.
What are the key properties of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 280.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81052393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).