N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine

C11H16N2O2 — CID 115226007

IUPACN'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
SMILESNCNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O2/c12-8-13-4-3-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,13H,3-6,8,12H2
InChIKeyAMVJCGIHRMQXDC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.51
Rot. Bonds4

About N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine (PubChem CID 115226007) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
PubChem CID115226007
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
SMILESNCNCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O2/c12-8-13-4-3-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,13H,3-6,8,12H2
InChIKeyAMVJCGIHRMQXDC-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanediamine
CID 115225690
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513458
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414337
methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoate
CID 43242662
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43093927
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62312995

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine?
The IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine (CID 115226007) is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine is NCNCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine?
The InChIKey is AMVJCGIHRMQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-8-13-4-3-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,13H,3-6,8,12H2.
What are the key properties of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine?
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine has a molecular weight of 208.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine is sourced from PubChem (CID 115226007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).