2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine

C22H21NO2 — CID 59572516

IUPAC2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)oc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H21NO2/c1-14-10-11-19-20(12-14)25-21-13-15(2)24-22(21)23(19)18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9-13H,3-4,6,8H2,1-2H3
InChIKeyAITMFJBRVUXLOZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.35
Rot. Bonds1

About 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine

2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572516) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572516
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)oc1N2c1cccc2c1CCCC2
InChIInChI=1S/C22H21NO2/c1-14-10-11-19-20(12-14)25-21-13-15(2)24-22(21)23(19)18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9-13H,3-4,6,8H2,1-2H3
InChIKeyAITMFJBRVUXLOZ-UHFFFAOYSA-N
XLogP6.35
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine (CID 59572516) is 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine is Cc1ccc2c(c1)Oc1cc(C)oc1N2c1cccc2c1CCCC2.
What is the InChIKey of 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is AITMFJBRVUXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-14-10-11-19-20(12-14)25-21-13-15(2)24-22(21)23(19)18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9-13H,3-4,6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 331.42 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).