N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine

C15H15NO3 — CID 86077029

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
SMILESON(Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3/c17-16(9-12-4-2-1-3-5-12)10-13-6-7-14-15(8-13)19-11-18-14/h1-8,17H,9-11H2
InChIKeyHCKXNUIUQMAJFU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.81
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine

N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine (PubChem CID 86077029) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
PubChem CID86077029
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
SMILESON(Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO3/c17-16(9-12-4-2-1-3-5-12)10-13-6-7-14-15(8-13)19-11-18-14/h1-8,17H,9-11H2
InChIKeyHCKXNUIUQMAJFU-UHFFFAOYSA-N
XLogP2.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine 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-benzyl-N-iodo-1,3-benzodioxol-5-amine
CID 163476763
N,N'-bis(1,3-benzodioxol-5-ylmethyl)-N'-benzylethane-1,2-diamine
CID 19369982
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
(2R)-1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-phenoxypropan-2-ol
CID 93147170
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-methylethanamine;ethane;ethene
CID 171532305
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine (CID 86077029) is N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine is ON(Cc1ccccc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine?
The InChIKey is HCKXNUIUQMAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-16(9-12-4-2-1-3-5-12)10-13-6-7-14-15(8-13)19-11-18-14/h1-8,17H,9-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine?
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine has a molecular weight of 257.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine is sourced from PubChem (CID 86077029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).