6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

C11H16N2O — CID 82230038

IUPAC6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCCc1cc(N)c2c(c1)NCC(C)O2
InChIInChI=1S/C11H16N2O/c1-3-8-4-9(12)11-10(5-8)13-6-7(2)14-11/h4-5,7,13H,3,6,12H2,1-2H3
InChIKeyWUYAHPMRCBMYSX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.02
Rot. Bonds1

About 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine

6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (PubChem CID 82230038) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
PubChem CID82230038
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
SMILESCCc1cc(N)c2c(c1)NCC(C)O2
InChIInChI=1S/C11H16N2O/c1-3-8-4-9(12)11-10(5-8)13-6-7(2)14-11/h4-5,7,13H,3,6,12H2,1-2H3
InChIKeyWUYAHPMRCBMYSX-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The IUPAC name of 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine (CID 82230038) is 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine.
What is the SMILES notation for 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The canonical SMILES for 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is CCc1cc(N)c2c(c1)NCC(C)O2.
What is the InChIKey of 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
The InChIKey is WUYAHPMRCBMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8-4-9(12)11-10(5-8)13-6-7(2)14-11/h4-5,7,13H,3,6,12H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine?
6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine has a molecular weight of 192.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 82230038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).