N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

C14H14NO2P — CID 54597875

IUPACN,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
SMILESCN(C)p1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C14H14NO2P/c1-15(2)18-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-18/h3-10H,1-2H3
InChIKeyJZODWWDZEHYZPC-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.49
Rot. Bonds1

About N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine (PubChem CID 54597875) has the molecular formula C14H14NO2P and a molecular weight of 259.25 g/mol. Its IUPAC name is N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine.

Molecular Properties

Compound NameN,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
PubChem CID54597875
Molecular FormulaC14H14NO2P
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC NameN,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
SMILESCN(C)p1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C14H14NO2P/c1-15(2)18-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-18/h3-10H,1-2H3
InChIKeyJZODWWDZEHYZPC-UHFFFAOYSA-N
XLogP4.49
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The IUPAC name of N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine (CID 54597875) is N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine.
What is the SMILES notation for N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The canonical SMILES for N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine is CN(C)p1oc2ccccc2c2ccccc2o1.
What is the InChIKey of N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?
The InChIKey is JZODWWDZEHYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO2P/c1-15(2)18-16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)17-18/h3-10H,1-2H3.
What are the key properties of N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine?
N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine has a molecular weight of 259.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine is sourced from PubChem (CID 54597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).