2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

C14H15Cl2N3 — CID 105132737

IUPAC2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)cc2Cl)c(C)nn1
InChIInChI=1S/C14H15Cl2N3/c1-8-5-12(9(2)19-18-8)14(17)6-10-3-4-11(15)7-13(10)16/h3-5,7,14H,6,17H2,1-2H3
InChIKeyTYJKQFVMQVVNTK-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.64
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (PubChem CID 105132737) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
PubChem CID105132737
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)cc2Cl)c(C)nn1
InChIInChI=1S/C14H15Cl2N3/c1-8-5-12(9(2)19-18-8)14(17)6-10-3-4-11(15)7-13(10)16/h3-5,7,14H,6,17H2,1-2H3
InChIKeyTYJKQFVMQVVNTK-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (CID 105132737) is 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Cl)cc2Cl)c(C)nn1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The InChIKey is TYJKQFVMQVVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-8-5-12(9(2)19-18-8)14(17)6-10-3-4-11(15)7-13(10)16/h3-5,7,14H,6,17H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine has a molecular weight of 296.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 105132737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).