N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine

C16H20FN3O — CID 63936367

IUPACN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C16H20FN3O/c1-16(2,3)18-10-13-8-9-15(20-19-13)21-11-12-6-4-5-7-14(12)17/h4-9,18H,10-11H2,1-3H3
InChIKeyXHXTVIQTCQNZMG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.08
Rot. Bonds5

About N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine

N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63936367) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63936367
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C16H20FN3O/c1-16(2,3)18-10-13-8-9-15(20-19-13)21-11-12-6-4-5-7-14(12)17/h4-9,18H,10-11H2,1-3H3
InChIKeyXHXTVIQTCQNZMG-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]-N-methylmethanamine
CID 63936765
2-methyl-N-[[6-(2-propoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 63685497
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
CID 82831544
N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 83233037
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
N-[[3-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63936374
N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62323581
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]propan-2-amine
CID 130987029
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 63936367) is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCc2ccccc2F)nn1.
What is the InChIKey of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XHXTVIQTCQNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-16(2,3)18-10-13-8-9-15(20-19-13)21-11-12-6-4-5-7-14(12)17/h4-9,18H,10-11H2,1-3H3.
What are the key properties of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63936367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).