N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine

C17H23N3O — CID 105095516

IUPACN-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3O/c1-5-10-18-17(14-6-8-15(21-4)9-7-14)16-11-12(2)19-20-13(16)3/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyZLPCVRKXVAAWJL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds6

About N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine

N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 105095516) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID105095516
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3O/c1-5-10-18-17(14-6-8-15(21-4)9-7-14)16-11-12(2)19-20-13(16)3/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyZLPCVRKXVAAWJL-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095248
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100685
N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104037
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine (CID 105095516) is N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is ZLPCVRKXVAAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-10-18-17(14-6-8-15(21-4)9-7-14)16-11-12(2)19-20-13(16)3/h6-9,11,17-18H,5,10H2,1-4H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105095516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).