1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine

C13H13Cl2N3 — CID 107094366

IUPAC1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N3/c1-9(11-5-2-6-12(14)13(11)15)16-8-10-4-3-7-17-18-10/h2-7,9,16H,8H2,1H3
InChIKeyIMFNKYCIAAXIEG-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.63
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 107094366) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID107094366
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N3/c1-9(11-5-2-6-12(14)13(11)15)16-8-10-4-3-7-17-18-10/h2-7,9,16H,8H2,1H3
InChIKeyIMFNKYCIAAXIEG-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
1-(2,3-dichlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 103777325
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895275
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
N-(pyridazin-3-ylmethyl)heptan-2-amine
CID 106895304
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 107094366) is 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine is CC(NCc1cccnn1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is IMFNKYCIAAXIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-9(11-5-2-6-12(14)13(11)15)16-8-10-4-3-7-17-18-10/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 282.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 107094366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).