N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine

C19H17F2N3O2 — CID 19385488

IUPACN-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3ccccc3)nn2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c1-25-17-11-14(7-9-16(17)26-19(20)21)15-8-10-18(24-23-15)22-12-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,22,24)
InChIKeyDYPSLTWHBNEIKA-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.37
Rot. Bonds7

About N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine

N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine (PubChem CID 19385488) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
PubChem CID19385488
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NCc3ccccc3)nn2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c1-25-17-11-14(7-9-16(17)26-19(20)21)15-8-10-18(24-23-15)22-12-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,22,24)
InChIKeyDYPSLTWHBNEIKA-UHFFFAOYSA-N
XLogP4.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
[6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-yl]oxy-trimethylsilane
CID 91742628
3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]ethanol
CID 116971250
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
2-[[6-(3-bromo-4-methoxyphenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971838
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine?
The IUPAC name of N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine (CID 19385488) is N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine.
What is the SMILES notation for N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine?
The canonical SMILES for N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine is COc1cc(-c2ccc(NCc3ccccc3)nn2)ccc1OC(F)F.
What is the InChIKey of N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine?
The InChIKey is DYPSLTWHBNEIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-25-17-11-14(7-9-16(17)26-19(20)21)15-8-10-18(24-23-15)22-12-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(H,22,24).
What are the key properties of N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine?
N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine has a molecular weight of 357.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine is sourced from PubChem (CID 19385488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).