N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine

C20H19NO2 — CID 152646353

IUPACN,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine
SMILESCN(C)c1cc(-c2ccccc2)cc2cc3c(cc12)OCCO3
InChIInChI=1S/C20H19NO2/c1-21(2)18-11-15(14-6-4-3-5-7-14)10-16-12-19-20(13-17(16)18)23-9-8-22-19/h3-7,10-13H,8-9H2,1-2H3
InChIKeyZGPTWUCOZDIJRB-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.34
Rot. Bonds2

About N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine

N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine (PubChem CID 152646353) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine
PubChem CID152646353
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine
SMILESCN(C)c1cc(-c2ccccc2)cc2cc3c(cc12)OCCO3
InChIInChI=1S/C20H19NO2/c1-21(2)18-11-15(14-6-4-3-5-7-14)10-16-12-19-20(13-17(16)18)23-9-8-22-19/h3-7,10-13H,8-9H2,1-2H3
InChIKeyZGPTWUCOZDIJRB-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine?
The IUPAC name of N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine (CID 152646353) is N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine.
What is the SMILES notation for N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine?
The canonical SMILES for N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine is CN(C)c1cc(-c2ccccc2)cc2cc3c(cc12)OCCO3.
What is the InChIKey of N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine?
The InChIKey is ZGPTWUCOZDIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)18-11-15(14-6-4-3-5-7-14)10-16-12-19-20(13-17(16)18)23-9-8-22-19/h3-7,10-13H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine?
N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine has a molecular weight of 305.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine is sourced from PubChem (CID 152646353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).