2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine

C15H16N2O2 — CID 115124436

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O2/c16-12-3-1-2-4-13(12)17-10-11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10,16H2
InChIKeyHPDKIKUUFLBCQZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.65
Rot. Bonds3

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine

2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine (PubChem CID 115124436) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
PubChem CID115124436
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O2/c16-12-3-1-2-4-13(12)17-10-11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10,16H2
InChIKeyHPDKIKUUFLBCQZ-UHFFFAOYSA-N
XLogP2.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-nitroaniline
CID 33106856
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
CID 71913478
6-[(2-aminoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 115124473
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
CID 28614019
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
2-bromo-3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)aniline
CID 103477918
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-fluoroaniline
CID 60868787
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyridin-3-amine
CID 103744166
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
CID 142955436
6-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 28904068
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-fluoroaniline
CID 43555257

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine (CID 115124436) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine is Nc1ccccc1NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine?
The InChIKey is HPDKIKUUFLBCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-12-3-1-2-4-13(12)17-10-11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10,16H2.
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine?
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine has a molecular weight of 256.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 115124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).