(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine

C14H17N3O — CID 105144672

IUPAC(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine
SMILESCC(C)Oc1ccc(C(N)c2ccnnc2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14(15)12-7-8-16-17-9-12/h3-10,14H,15H2,1-2H3
InChIKeyIJCAUZLUWMAFNR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine

(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine (PubChem CID 105144672) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine
PubChem CID105144672
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine
SMILESCC(C)Oc1ccc(C(N)c2ccnnc2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14(15)12-7-8-16-17-9-12/h3-10,14H,15H2,1-2H3
InChIKeyIJCAUZLUWMAFNR-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(4-ethylphenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120931
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 115530462
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
CID 54932919
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine?
The IUPAC name of (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine (CID 105144672) is (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine?
The canonical SMILES for (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine is CC(C)Oc1ccc(C(N)c2ccnnc2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine?
The InChIKey is IJCAUZLUWMAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)18-13-5-3-11(4-6-13)14(15)12-7-8-16-17-9-12/h3-10,14H,15H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine?
(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine is sourced from PubChem (CID 105144672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).