7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine

C12H17NO — CID 90392310

IUPAC7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCCc1ccc2c(c1)OCC(C)(C)N2
InChIInChI=1S/C12H17NO/c1-4-9-5-6-10-11(7-9)14-8-12(2,3)13-10/h5-7,13H,4,8H2,1-3H3
InChIKeyFHEDVPQTIGYUOU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds1

About 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine

7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine (PubChem CID 90392310) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
PubChem CID90392310
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCCc1ccc2c(c1)OCC(C)(C)N2
InChIInChI=1S/C12H17NO/c1-4-9-5-6-10-11(7-9)14-8-12(2,3)13-10/h5-7,13H,4,8H2,1-3H3
InChIKeyFHEDVPQTIGYUOU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethoxyquin
CID 3293
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
Dabelotine
CID 177949
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
8-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 4266080
6-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 18318065
8-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 44383798
8-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
CID 44383905
12H-Benzo[b]phenoxazine
CID 266947
8-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
CID 604775

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The IUPAC name of 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine (CID 90392310) is 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine is CCc1ccc2c(c1)OCC(C)(C)N2.
What is the InChIKey of 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
The InChIKey is FHEDVPQTIGYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9-5-6-10-11(7-9)14-8-12(2,3)13-10/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine?
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine has a molecular weight of 191.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 90392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).