1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H16N2O2 — CID 82536487

IUPAC1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O2/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-14-15(9-11)19-10-18-14/h3-9,16H,10H2,1-2H3
InChIKeyQVHZLCFSTCUFLR-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.22
Rot. Bonds3

About 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 82536487) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID82536487
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O2/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-14-15(9-11)19-10-18-14/h3-9,16H,10H2,1-2H3
InChIKeyQVHZLCFSTCUFLR-UHFFFAOYSA-N
XLogP3.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
2-amino-5-[2-(dimethylamino)anilino]benzonitrile
CID 106759433
4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
CID 106759948
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878306
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929343
1-[3-amino-4-(1,3-benzodioxol-5-ylamino)phenyl]ethanone
CID 96667508
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
3-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzene-1,3-diamine
CID 63076938
2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
CID 110452966

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 82536487) is 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is QVHZLCFSTCUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(2)13-6-4-3-5-12(13)16-11-7-8-14-15(9-11)19-10-18-14/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 82536487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).