6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C14H14F3N3O — CID 102717128

IUPAC6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-18-12-6-9(14(15,16)17)7-13(20-12)19-10-4-3-5-11(8-10)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLKFTVOIAMNECDK-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.89
Rot. Bonds4

About 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717128) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717128
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H14F3N3O/c1-18-12-6-9(14(15,16)17)7-13(20-12)19-10-4-3-5-11(8-10)21-2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLKFTVOIAMNECDK-UHFFFAOYSA-N
XLogP3.89
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
3-[[2-(3-methoxyanilino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 44525752
4-N-(3-iodophenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770063
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 142666875
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930
2-N-(3-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930615
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
N-methyl-6-(2-methylphenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719830
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717128) is 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is LKFTVOIAMNECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-18-12-6-9(14(15,16)17)7-13(20-12)19-10-4-3-5-11(8-10)21-2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).