N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

C17H23N3O — CID 103374840

IUPACN-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1ccc(C)cc1C
InChIInChI=1S/C17H23N3O/c1-5-10-18-17(14-7-6-12(2)11-13(14)3)15-8-9-16(21-4)20-19-15/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyYRIGNWSWYOLGRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds6

About N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (PubChem CID 103374840) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
PubChem CID103374840
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)nn1)c1ccc(C)cc1C
InChIInChI=1S/C17H23N3O/c1-5-10-18-17(14-7-6-12(2)11-13(14)3)15-8-9-16(21-4)20-19-15/h6-9,11,17-18H,5,10H2,1-4H3
InChIKeyYRIGNWSWYOLGRN-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-[(6-methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 103374682
N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374783
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495535
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
N-[1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103374753
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
N-[(6-methoxypyridazin-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 103374615
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
N-[(6-methoxypyridazin-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 103374852
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine (CID 103374840) is N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)nn1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
The InChIKey is YRIGNWSWYOLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-10-18-17(14-7-6-12(2)11-13(14)3)15-8-9-16(21-4)20-19-15/h6-9,11,17-18H,5,10H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)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-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).