3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

C12H17NO — CID 82229951

IUPAC3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1COc2c(C)cc(C)cc2N1
InChIInChI=1S/C12H17NO/c1-4-10-7-14-12-9(3)5-8(2)6-11(12)13-10/h5-6,10,13H,4,7H2,1-3H3
InChIKeyIGXYBSUKXGTCMT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.89
Rot. Bonds1

About 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine

3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82229951) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82229951
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1COc2c(C)cc(C)cc2N1
InChIInChI=1S/C12H17NO/c1-4-10-7-14-12-9(3)5-8(2)6-11(12)13-10/h5-6,10,13H,4,7H2,1-3H3
InChIKeyIGXYBSUKXGTCMT-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82229951) is 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is CCC1COc2c(C)cc(C)cc2N1.
What is the InChIKey of 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is IGXYBSUKXGTCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-7-14-12-9(3)5-8(2)6-11(12)13-10/h5-6,10,13H,4,7H2,1-3H3.
What are the key properties of 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 191.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82229951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).