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

C20H21N3O2 — CID 24679697

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine
SMILESCCN(Cc1ccc2c(c1)OCCO2)c1nnc(C)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-3-23(13-15-8-9-18-19(12-15)25-11-10-24-18)20-17-7-5-4-6-16(17)14(2)21-22-20/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyJUDKBMRKAXUTBZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine (PubChem CID 24679697) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine
PubChem CID24679697
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine
SMILESCCN(Cc1ccc2c(c1)OCCO2)c1nnc(C)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-3-23(13-15-8-9-18-19(12-15)25-11-10-24-18)20-17-7-5-4-6-16(17)14(2)21-22-20/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyJUDKBMRKAXUTBZ-UHFFFAOYSA-N
XLogP3.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
CID 63765499
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24679695
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 24607845
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 35701227
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29416489
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-ethyl-N-naphthalen-1-ylacetamide
CID 26517307
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
CID 155975046
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-pyrazol-1-ylethanamine
CID 50970555

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine (CID 24679697) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine is CCN(Cc1ccc2c(c1)OCCO2)c1nnc(C)c2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine?
The InChIKey is JUDKBMRKAXUTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23(13-15-8-9-18-19(12-15)25-11-10-24-18)20-17-7-5-4-6-16(17)14(2)21-22-20/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine has a molecular weight of 335.41 g/mol, XLogP of 3.74, 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-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine is sourced from PubChem (CID 24679697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).