(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine

C17H23N3O — CID 105171352

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H23N3O/c1-5-16-15(9-12(4)19-20-16)17(18)13-7-6-8-14(10-13)21-11(2)3/h6-11,17H,5,18H2,1-4H3
InChIKeyIZTCVGUIDAKQAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds5

About (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine

(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 105171352) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID105171352
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H23N3O/c1-5-16-15(9-12(4)19-20-16)17(18)13-7-6-8-14(10-13)21-11(2)3/h6-11,17H,5,18H2,1-4H3
InChIKeyIZTCVGUIDAKQAF-UHFFFAOYSA-N
XLogP3.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(3-ethyl-2-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 82730762
(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105131524
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine (CID 105171352) is (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine is CCc1nnc(C)cc1C(N)c1cccc(OC(C)C)c1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is IZTCVGUIDAKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-16-15(9-12(4)19-20-16)17(18)13-7-6-8-14(10-13)21-11(2)3/h6-11,17H,5,18H2,1-4H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine?
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105171352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).