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

C17H23N3O — CID 105086625

IUPACN-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3O/c1-5-9-18-17(14-7-6-8-15(11-14)21-4)16-10-12(2)19-20-13(16)3/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyYLPZXANYVSMZRF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds6

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

N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 105086625) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID105086625
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1cc(C)nnc1C
InChIInChI=1S/C17H23N3O/c1-5-9-18-17(14-7-6-8-15(11-14)21-4)16-10-12(2)19-20-13(16)3/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyYLPZXANYVSMZRF-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)-(4-methoxyphenyl)methyl]propan-1-amine
CID 105095516
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(3,6-dimethylpyridazin-4-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105119145
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 105086625) is N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1cc(C)nnc1C.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is YLPZXANYVSMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-9-18-17(14-7-6-8-15(11-14)21-4)16-10-12(2)19-20-13(16)3/h6-8,10-11,17-18H,5,9H2,1-4H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(3,6-dimethylpyridazin-4-yl)-(3-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)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105086625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).