2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C15H16F2N2OS — CID 82887473

IUPAC2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccccc2SC(F)F)c1
InChIInChI=1S/C15H16F2N2OS/c1-10-7-12(20-2)8-11(19-10)9-18-13-5-3-4-6-14(13)21-15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyKCPIPLFSGWKBIX-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.33
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82887473) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82887473
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccccc2SC(F)F)c1
InChIInChI=1S/C15H16F2N2OS/c1-10-7-12(20-2)8-11(19-10)9-18-13-5-3-4-6-14(13)21-15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyKCPIPLFSGWKBIX-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline with MolForge

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Related Compounds

2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
CID 79163162
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17395137

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82887473) is 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2ccccc2SC(F)F)c1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is KCPIPLFSGWKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-10-7-12(20-2)8-11(19-10)9-18-13-5-3-4-6-14(13)21-15(16)17/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 310.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82887473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).