2,8-dimethyl-4H-3,1-benzoxazine

C10H11NO — CID 175824556

IUPAC2,8-dimethyl-4H-3,1-benzoxazine
SMILESCC1=Nc2c(C)cccc2CO1
InChIInChI=1S/C10H11NO/c1-7-4-3-5-9-6-12-8(2)11-10(7)9/h3-5H,6H2,1-2H3
InChIKeyMEPHBZDQPZOTOF-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.58
Rot. Bonds

About 2,8-dimethyl-4H-3,1-benzoxazine

2,8-dimethyl-4H-3,1-benzoxazine (PubChem CID 175824556) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,8-dimethyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2,8-dimethyl-4H-3,1-benzoxazine
PubChem CID175824556
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2,8-dimethyl-4H-3,1-benzoxazine
SMILESCC1=Nc2c(C)cccc2CO1
InChIInChI=1S/C10H11NO/c1-7-4-3-5-9-6-12-8(2)11-10(7)9/h3-5H,6H2,1-2H3
InChIKeyMEPHBZDQPZOTOF-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-2-methyl-4H-3,1-benzoxazine
CID 175824558
8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
CID 22971527
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 139748942
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine
CID 70366918
1-amino-8-methyl-4H-isoquinolin-3-one
CID 58429704
4,5-dimethyl-9H-fluorene
CID 14389533
4,5-dimethyl-1H-isochromene
CID 174926956
3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline
CID 56589787
7-methyl-6H-benzo[c]chromene
CID 138981577
8-methyl-4H-1,3,2-benzodioxaphosphinine
CID 143914921
8-methyl-2,4-dihydro-1H-3,1-benzoxazine
CID 91666706

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4H-3,1-benzoxazine?
The IUPAC name of 2,8-dimethyl-4H-3,1-benzoxazine (CID 175824556) is 2,8-dimethyl-4H-3,1-benzoxazine.
What is the SMILES notation for 2,8-dimethyl-4H-3,1-benzoxazine?
The canonical SMILES for 2,8-dimethyl-4H-3,1-benzoxazine is CC1=Nc2c(C)cccc2CO1.
What is the InChIKey of 2,8-dimethyl-4H-3,1-benzoxazine?
The InChIKey is MEPHBZDQPZOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-4-3-5-9-6-12-8(2)11-10(7)9/h3-5H,6H2,1-2H3.
What are the key properties of 2,8-dimethyl-4H-3,1-benzoxazine?
2,8-dimethyl-4H-3,1-benzoxazine has a molecular weight of 161.20 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4H-3,1-benzoxazine is sourced from PubChem (CID 175824556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).