N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine

C13H17NO2 — CID 62735808

IUPACN-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
SMILESCNC1CCCc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H17NO2/c1-14-11-4-2-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,2-6H2,1H3
InChIKeyNVEXKDVWTWSZRH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.05
Rot. Bonds1

About N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine

N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine (PubChem CID 62735808) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine.

Molecular Properties

Compound NameN-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
PubChem CID62735808
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
SMILESCNC1CCCc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H17NO2/c1-14-11-4-2-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,2-6H2,1H3
InChIKeyNVEXKDVWTWSZRH-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine?
The IUPAC name of N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine (CID 62735808) is N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine.
What is the SMILES notation for N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine?
The canonical SMILES for N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine is CNC1CCCc2cc3c(cc21)OCCO3.
What is the InChIKey of N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine?
The InChIKey is NVEXKDVWTWSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-11-4-2-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,2-6H2,1H3.
What are the key properties of N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine?
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine has a molecular weight of 219.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine is sourced from PubChem (CID 62735808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).