6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine

C20H20ClN3O2 — CID 6412777

IUPAC6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
SMILESCOc1ccc(CCNc2ccc(-c3ccc(Cl)cc3)nn2)cc1OC
InChIInChI=1S/C20H20ClN3O2/c1-25-18-9-3-14(13-19(18)26-2)11-12-22-20-10-8-17(23-24-20)15-4-6-16(21)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyLFSFKQNTLCIPRE-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.47
Rot. Bonds7

About 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine

6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine (PubChem CID 6412777) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
PubChem CID6412777
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
SMILESCOc1ccc(CCNc2ccc(-c3ccc(Cl)cc3)nn2)cc1OC
InChIInChI=1S/C20H20ClN3O2/c1-25-18-9-3-14(13-19(18)26-2)11-12-22-20-10-8-17(23-24-20)15-4-6-16(21)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyLFSFKQNTLCIPRE-UHFFFAOYSA-N
XLogP4.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 53022064
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897039
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
2-[[6-(4-chlorophenyl)pyridazin-3-yl]amino]ethanol
CID 116971236
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
4-chloro-2-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115468478
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873343

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine (CID 6412777) is 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine is COc1ccc(CCNc2ccc(-c3ccc(Cl)cc3)nn2)cc1OC.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
The InChIKey is LFSFKQNTLCIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-25-18-9-3-14(13-19(18)26-2)11-12-22-20-10-8-17(23-24-20)15-4-6-16(21)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine?
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine has a molecular weight of 369.85 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 6412777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).