N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine

C16H20FN3O — CID 103374768

IUPACN-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccc(OC)nn1
InChIInChI=1S/C16H20FN3O/c1-3-10-18-15(11-12-6-4-5-7-13(12)17)14-8-9-16(21-2)20-19-14/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyIZUCQOYIQCFSHI-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine

N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine (PubChem CID 103374768) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
PubChem CID103374768
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1ccc(OC)nn1
InChIInChI=1S/C16H20FN3O/c1-3-10-18-15(11-12-6-4-5-7-13(12)17)14-8-9-16(21-2)20-19-14/h4-9,15,18H,3,10-11H2,1-2H3
InChIKeyIZUCQOYIQCFSHI-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
N-[1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 103374746
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
CID 103374699
1-(6-methoxypyridazin-3-yl)-N-propylhex-4-yn-1-amine
CID 103374819
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine (CID 103374768) is N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)c1ccc(OC)nn1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine?
The InChIKey is IZUCQOYIQCFSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-10-18-15(11-12-6-4-5-7-13(12)17)14-8-9-16(21-2)20-19-14/h4-9,15,18H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine?
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103374768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).