4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline

C23H28N4O — CID 16742745

IUPAC4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1
InChIInChI=1S/C23H28N4O/c1-27(2)17-18-6-10-20(11-7-18)24-16-4-5-21-12-15-23(26-25-21)19-8-13-22(28-3)14-9-19/h6-15,24H,4-5,16-17H2,1-3H3
InChIKeyMOBSKCBBMWWXRY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.26
Rot. Bonds9

About 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline

4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline (PubChem CID 16742745) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
PubChem CID16742745
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1
InChIInChI=1S/C23H28N4O/c1-27(2)17-18-6-10-20(11-7-18)24-16-4-5-21-12-15-23(26-25-21)19-8-13-22(28-3)14-9-19/h6-15,24H,4-5,16-17H2,1-3H3
InChIKeyMOBSKCBBMWWXRY-UHFFFAOYSA-N
XLogP4.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline with MolForge

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
CID 16742746
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 122184691
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]aniline
CID 4053529
1-[[4-[3-[6-(4-Methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-ol
CID 16742747
3-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]propan-1-amine
CID 73348043
N-[(1-propyl-4-piperidyl)methyl]-1-[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 73354109
2-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
CID 73355628
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
CID 122184692
1-[[4-[3-[6-(4-Methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
CID 122184693

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline (CID 16742745) is 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline is COc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline?
The InChIKey is MOBSKCBBMWWXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-27(2)17-18-6-10-20(11-7-18)24-16-4-5-21-12-15-23(26-25-21)19-8-13-22(28-3)14-9-19/h6-15,24H,4-5,16-17H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline?
4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline has a molecular weight of 376.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline is sourced from PubChem (CID 16742745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).