N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine

C16H20FN3O — CID 105122244

IUPACN-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)c1ccnnc1
InChIInChI=1S/C16H20FN3O/c1-3-7-18-15(13-6-8-19-20-11-13)10-12-4-5-16(21-2)14(17)9-12/h4-6,8-9,11,15,18H,3,7,10H2,1-2H3
InChIKeyUUDDZGZWOBHORX-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine (PubChem CID 105122244) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
PubChem CID105122244
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)c1ccnnc1
InChIInChI=1S/C16H20FN3O/c1-3-7-18-15(13-6-8-19-20-11-13)10-12-4-5-16(21-2)14(17)9-12/h4-6,8-9,11,15,18H,3,7,10H2,1-2H3
InChIKeyUUDDZGZWOBHORX-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-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105136520
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine (CID 105122244) is N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(OC)c(F)c1)c1ccnnc1.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The InChIKey is UUDDZGZWOBHORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-7-18-15(13-6-8-19-20-11-13)10-12-4-5-16(21-2)14(17)9-12/h4-6,8-9,11,15,18H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]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-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105122244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).