5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C21H26N2O2 — CID 58495056

IUPAC5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1ccccc1)CCO3)CCNCC2
InChIInChI=1S/C21H26N2O2/c1-16-19-8-10-22-9-7-17(19)15-20-21(16)23(12-14-25-20)11-13-24-18-5-3-2-4-6-18/h2-6,15,22H,7-14H2,1H3
InChIKeyUCSPMYUBQFTXDL-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds4

About 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58495056) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58495056
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1ccccc1)CCO3)CCNCC2
InChIInChI=1S/C21H26N2O2/c1-16-19-8-10-22-9-7-17(19)15-20-21(16)23(12-14-25-20)11-13-24-18-5-3-2-4-6-18/h2-6,15,22H,7-14H2,1H3
InChIKeyUCSPMYUBQFTXDL-UHFFFAOYSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine with MolForge

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Related Compounds

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8-methyl-6-phenyl-6,7,9,10-tetrahydro-4H-[1,4]oxazino[2,3-h][3]benzazepin-3-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58495056) is 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is Cc1c2c(cc3c1N(CCOc1ccccc1)CCO3)CCNCC2.
What is the InChIKey of 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is UCSPMYUBQFTXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-19-8-10-22-9-7-17(19)15-20-21(16)23(12-14-25-20)11-13-24-18-5-3-2-4-6-18/h2-6,15,22H,7-14H2,1H3.
What are the key properties of 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 338.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58495056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).