8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine

C14H21NO — CID 82230918

IUPAC8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(C)c2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C14H21NO/c1-10-9-15(5)12-8-6-7-11(13(12)16-10)14(2,3)4/h6-8,10H,9H2,1-5H3
InChIKeyDXQBLCXNEYSKPZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.20
Rot. Bonds

About 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine

8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 82230918) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID82230918
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(C)c2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C14H21NO/c1-10-9-15(5)12-8-6-7-11(13(12)16-10)14(2,3)4/h6-8,10H,9H2,1-5H3
InChIKeyDXQBLCXNEYSKPZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine (CID 82230918) is 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine is CC1CN(C)c2cccc(C(C)(C)C)c2O1.
What is the InChIKey of 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is DXQBLCXNEYSKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-9-15(5)12-8-6-7-11(13(12)16-10)14(2,3)4/h6-8,10H,9H2,1-5H3.
What are the key properties of 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine?
8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 219.33 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 82230918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).