N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine

C15H18FN3O — CID 107660920

IUPACN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)nn2)c1F
InChIInChI=1S/C15H18FN3O/c1-10(2)17-9-12-7-8-14(19-18-12)20-13-6-4-5-11(3)15(13)16/h4-8,10,17H,9H2,1-3H3
InChIKeyBVGJHKCHAGKTNC-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.21
Rot. Bonds5

About N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 107660920) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID107660920
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)nn2)c1F
InChIInChI=1S/C15H18FN3O/c1-10(2)17-9-12-7-8-14(19-18-12)20-13-6-4-5-11(3)15(13)16/h4-8,10,17H,9H2,1-3H3
InChIKeyBVGJHKCHAGKTNC-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62322260
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648
3-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridazine
CID 61268428
N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine
CID 107658828
N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298078
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine (CID 107660920) is N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine is Cc1cccc(Oc2ccc(CNC(C)C)nn2)c1F.
What is the InChIKey of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is BVGJHKCHAGKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(2)17-9-12-7-8-14(19-18-12)20-13-6-4-5-11(3)15(13)16/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107660920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).