1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

C17H22ClN3O — CID 150312529

IUPAC1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnnc2)cc1Cl
InChIInChI=1S/C17H22ClN3O/c1-12(2)9-17(3,19)11-22-16-5-4-13(8-15(16)18)14-6-7-20-21-10-14/h4-8,10,12H,9,11,19H2,1-3H3
InChIKeyGLXVPMDYJHKUTE-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.94
Rot. Bonds6

About 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 150312529) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
PubChem CID150312529
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnnc2)cc1Cl
InChIInChI=1S/C17H22ClN3O/c1-12(2)9-17(3,19)11-22-16-5-4-13(8-15(16)18)14-6-7-20-21-10-14/h4-8,10,12H,9,11,19H2,1-3H3
InChIKeyGLXVPMDYJHKUTE-UHFFFAOYSA-N
XLogP3.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-5-(4-methoxyphenyl)pyridazine
CID 13558917
(1R)-1-(4-chloro-2-fluoro-3-pyridazin-3-yloxyphenyl)propan-1-amine
CID 89544584
3-(4-Chloro-5-ethoxy-2-fluorophenyl)pyridazine
CID 170557790
3-(2-Tert-butyl-6-chlorophenoxy)pyridazin-4-amine
CID 68530145
3-Chloro-4-(4-methoxyphenyl)pyridazine
CID 86719766
(R)-1-[4-chloro-2-fluoro-3-(pyridazin-3-yloxy)-phenyl]-propylamine hydrochloride
CID 89544583
[5-[4-(2-Amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamic acid
CID 135282223
[5-[4-(2-Amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl] carbamate
CID 135282231
4-Chloro-3-(2-chloro-6-propan-2-ylphenoxy)-1-oxidopyridazin-1-ium
CID 141062521
tert-butyl N-[5-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyridazin-3-yl]-N-methoxycarbonylcarbamate
CID 141526659
methyl N-[5-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyridazin-3-yl]carbamate
CID 145743346
methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate
CID 146207742

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (CID 150312529) is 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1ccc(-c2ccnnc2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is GLXVPMDYJHKUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12(2)9-17(3,19)11-22-16-5-4-13(8-15(16)18)14-6-7-20-21-10-14/h4-8,10,12H,9,11,19H2,1-3H3.
What are the key properties of 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 319.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 150312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).