N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

C15H16F3N3O — CID 100629105

IUPACN-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCc1cc(OC)ccc1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C15H16F3N3O/c1-3-10-8-12(22-2)5-4-11(10)9-19-14-7-6-13(20-21-14)15(16,17)18/h4-8H,3,9H2,1-2H3,(H,19,21)
InChIKeyUKCIGAFQAMUBKS-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.68
Rot. Bonds5

About N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 100629105) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID100629105
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCc1cc(OC)ccc1CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C15H16F3N3O/c1-3-10-8-12(22-2)5-4-11(10)9-19-14-7-6-13(20-21-14)15(16,17)18/h4-8H,3,9H2,1-2H3,(H,19,21)
InChIKeyUKCIGAFQAMUBKS-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100660094
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
2-methoxy-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 133418614
N-[(3,5-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 138043417
N-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenyl]methanesulfonamide
CID 75470606
N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133432263
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133275348
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133419788
6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 154758297
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875571

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 100629105) is N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is CCc1cc(OC)ccc1CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is UKCIGAFQAMUBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-3-10-8-12(22-2)5-4-11(10)9-19-14-7-6-13(20-21-14)15(16,17)18/h4-8H,3,9H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 311.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 100629105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).