[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene

C17H18N2O2 — CID 91545974

IUPAC[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene
SMILESCC(C)(C/N=N/c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O2/c1-17(2,11-18-19-14-6-4-3-5-7-14)13-8-9-15-16(10-13)21-12-20-15/h3-10H,11-12H2,1-2H3/b19-18+
InChIKeyVYPDZUQFZLHBEA-VHEBQXMUSA-N
MW282.34 g/mol
LogP4.48
Rot. Bonds4

About [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene

[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene (PubChem CID 91545974) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene
PubChem CID91545974
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene
SMILESCC(C)(C/N=N/c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O2/c1-17(2,11-18-19-14-6-4-3-5-7-14)13-8-9-15-16(10-13)21-12-20-15/h3-10H,11-12H2,1-2H3/b19-18+
InChIKeyVYPDZUQFZLHBEA-VHEBQXMUSA-N
XLogP4.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene 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

2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
2-(1,3-benzodioxol-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261413
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]methanesulfonamide
CID 86870477
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
1-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylethanamine
CID 22299281
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
CID 164896977
CID 164896977
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene (CID 91545974) is [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene is CC(C)(C/N=N/c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene?
The InChIKey is VYPDZUQFZLHBEA-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2,11-18-19-14-6-4-3-5-7-14)13-8-9-15-16(10-13)21-12-20-15/h3-10H,11-12H2,1-2H3/b19-18+.
What are the key properties of [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene?
[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene has a molecular weight of 282.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenyldiazene is sourced from PubChem (CID 91545974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).