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

C14H14F3N3O — CID 106747617

IUPAC4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCOc1ccccc1N(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H14F3N3O/c1-20(10-5-3-4-6-12(10)21-2)11-7-13(14(15,16)17)19-8-9(11)18/h3-8H,18H2,1-2H3
InChIKeyYXFVHKNWYDDDOW-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.46
Rot. Bonds3

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

4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747617) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747617
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCOc1ccccc1N(C)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C14H14F3N3O/c1-20(10-5-3-4-6-12(10)21-2)11-7-13(14(15,16)17)19-8-9(11)18/h3-8H,18H2,1-2H3
InChIKeyYXFVHKNWYDDDOW-UHFFFAOYSA-N
XLogP3.46
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747617) is 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is COc1ccccc1N(C)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is YXFVHKNWYDDDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-20(10-5-3-4-6-12(10)21-2)11-7-13(14(15,16)17)19-8-9(11)18/h3-8H,18H2,1-2H3.
What are the key properties of 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).