7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C13H19NO — CID 90244467

IUPAC7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2ccc(C(C)(C)C)cc2O1
InChIInChI=1S/C13H19NO/c1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9/h5-7,9,14H,8H2,1-4H3
InChIKeyCHPCPJMANWFYLS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.18
Rot. Bonds

About 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 90244467) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID90244467
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2ccc(C(C)(C)C)cc2O1
InChIInChI=1S/C13H19NO/c1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9/h5-7,9,14H,8H2,1-4H3
InChIKeyCHPCPJMANWFYLS-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 90244467) is 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1CNc2ccc(C(C)(C)C)cc2O1.
What is the InChIKey of 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is CHPCPJMANWFYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 205.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 90244467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).