N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

C14H13ClF3N3O — CID 133432314

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc(Cl)cc1CN(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H13ClF3N3O/c1-21(8-9-7-10(15)3-4-11(9)22-2)13-6-5-12(19-20-13)14(16,17)18/h3-7H,8H2,1-2H3
InChIKeyORFZKPVGDVPKAE-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.79
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133432314) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133432314
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc(Cl)cc1CN(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H13ClF3N3O/c1-21(8-9-7-10(15)3-4-11(9)22-2)13-6-5-12(19-20-13)14(16,17)18/h3-7H,8H2,1-2H3
InChIKeyORFZKPVGDVPKAE-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133432313
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-6-fluorobenzonitrile
CID 55432021
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60699813
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877
2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 133432314) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is COc1ccc(Cl)cc1CN(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ORFZKPVGDVPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-21(8-9-7-10(15)3-4-11(9)22-2)13-6-5-12(19-20-13)14(16,17)18/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 331.73 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133432314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).