5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine

C19H20N2O — CID 4073968

IUPAC5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine
SMILESCC1=NCCNC(C)=C1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-19(15(2)21-13-12-20-14)22-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,20H,12-13H2,1-2H3
InChIKeyRGRDSEKTJFFUDS-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.03
Rot. Bonds3

About 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine

5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine (PubChem CID 4073968) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine.

Molecular Properties

Compound Name5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine
PubChem CID4073968
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine
SMILESCC1=NCCNC(C)=C1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-19(15(2)21-13-12-20-14)22-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,20H,12-13H2,1-2H3
InChIKeyRGRDSEKTJFFUDS-UHFFFAOYSA-N
XLogP4.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine?
The IUPAC name of 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine (CID 4073968) is 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine.
What is the SMILES notation for 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine?
The canonical SMILES for 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine is CC1=NCCNC(C)=C1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine?
The InChIKey is RGRDSEKTJFFUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-19(15(2)21-13-12-20-14)22-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine?
5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine has a molecular weight of 292.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine is sourced from PubChem (CID 4073968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).