N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine

C17H21N3O2 — CID 133489254

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
SMILESCCN(CC1COc2ccccc2O1)c1cc(C)c(C)nn1
InChIInChI=1S/C17H21N3O2/c1-4-20(17-9-12(2)13(3)18-19-17)10-14-11-21-15-7-5-6-8-16(15)22-14/h5-9,14H,4,10-11H2,1-3H3
InChIKeyCNYJKMFHOZVQAZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.76
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine (PubChem CID 133489254) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
PubChem CID133489254
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
SMILESCCN(CC1COc2ccccc2O1)c1cc(C)c(C)nn1
InChIInChI=1S/C17H21N3O2/c1-4-20(17-9-12(2)13(3)18-19-17)10-14-11-21-15-7-5-6-8-16(15)22-14/h5-9,14H,4,10-11H2,1-3H3
InChIKeyCNYJKMFHOZVQAZ-UHFFFAOYSA-N
XLogP2.76
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6-methylpyridin-2-amine
CID 133481795
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
CID 154851427
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47016247
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 60718700
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 55410002
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-diethylthiourea
CID 8787298
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide
CID 43167892
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-ethylurea
CID 48738687

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine (CID 133489254) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine is CCN(CC1COc2ccccc2O1)c1cc(C)c(C)nn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine?
The InChIKey is CNYJKMFHOZVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-20(17-9-12(2)13(3)18-19-17)10-14-11-21-15-7-5-6-8-16(15)22-14/h5-9,14H,4,10-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine has a molecular weight of 299.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 133489254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).