N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

C15H17F2N3O — CID 103374736

IUPACN-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3O/c1-3-9-18-15(10-5-4-6-11(16)14(10)17)12-7-8-13(21-2)20-19-12/h4-8,15,18H,3,9H2,1-2H3
InChIKeyPZMQQOOFMOYYNK-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.85
Rot. Bonds6

About N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 103374736) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID103374736
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1cccc(F)c1F
InChIInChI=1S/C15H17F2N3O/c1-3-9-18-15(10-5-4-6-11(16)14(10)17)12-7-8-13(21-2)20-19-12/h4-8,15,18H,3,9H2,1-2H3
InChIKeyPZMQQOOFMOYYNK-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374840
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374783
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (CID 103374736) is N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)nn1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is PZMQQOOFMOYYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-3-9-18-15(10-5-4-6-11(16)14(10)17)12-7-8-13(21-2)20-19-12/h4-8,15,18H,3,9H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine has a molecular weight of 293.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103374736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).