8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine

C11H15NO2 — CID 115095090

IUPAC8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCOc1cccc2c1OCC(C)(C)N2
InChIInChI=1S/C11H15NO2/c1-11(2)7-14-10-8(12-11)5-4-6-9(10)13-3/h4-6,12H,7H2,1-3H3
InChIKeyJTBJQAANFAMTCY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.28
Rot. Bonds1

About 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine

8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine (PubChem CID 115095090) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
PubChem CID115095090
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCOc1cccc2c1OCC(C)(C)N2
InChIInChI=1S/C11H15NO2/c1-11(2)7-14-10-8(12-11)5-4-6-9(10)13-3/h4-6,12H,7H2,1-3H3
InChIKeyJTBJQAANFAMTCY-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722416
3-ethylidene-4-methoxy-1,2-dihydroindole
CID 131845895
[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol
CID 121010326
5-methoxy-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84773577
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
CID 115097570
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423
5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193828
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
CID 70446962
9-chloro-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82230621

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The IUPAC name of 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine (CID 115095090) is 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine is COc1cccc2c1OCC(C)(C)N2.
What is the InChIKey of 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The InChIKey is JTBJQAANFAMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)7-14-10-8(12-11)5-4-6-9(10)13-3/h4-6,12H,7H2,1-3H3.
What are the key properties of 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine has a molecular weight of 193.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 115095090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).