2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

C11H16N2O2 — CID 103387198

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O2/c1-8(7-12)13-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,13H,4-5,7,12H2,1H3
InChIKeyNOCMUEDUZUHNPP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds3

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (PubChem CID 103387198) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
PubChem CID103387198
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O2/c1-8(7-12)13-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,13H,4-5,7,12H2,1H3
InChIKeyNOCMUEDUZUHNPP-UHFFFAOYSA-N
XLogP1.22
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43098963
N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 29035143
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 103387165
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methylbutanenitrile
CID 82128876
3-(1,3-benzodioxol-5-ylamino)butanethioamide
CID 82084106
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine (CID 103387198) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine is CC(CN)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
The InChIKey is NOCMUEDUZUHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(7-12)13-9-2-3-10-11(6-9)15-5-4-14-10/h2-3,6,8,13H,4-5,7,12H2,1H3.
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine has a molecular weight of 208.26 g/mol, XLogP of 1.22, 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-yl)propane-1,2-diamine is sourced from PubChem (CID 103387198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).