2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine

C12H17NO — CID 114494580

IUPAC2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine
SMILESCC(C)C1(C)CNc2ccccc2O1
InChIInChI=1S/C12H17NO/c1-9(2)12(3)8-13-10-6-4-5-7-11(10)14-12/h4-7,9,13H,8H2,1-3H3
InChIKeyJKWJFKUPHNGNQP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.91
Rot. Bonds1

About 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine

2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine (PubChem CID 114494580) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine
PubChem CID114494580
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine
SMILESCC(C)C1(C)CNc2ccccc2O1
InChIInChI=1S/C12H17NO/c1-9(2)12(3)8-13-10-6-4-5-7-11(10)14-12/h4-7,9,13H,8H2,1-3H3
InChIKeyJKWJFKUPHNGNQP-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine (CID 114494580) is 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine is CC(C)C1(C)CNc2ccccc2O1.
What is the InChIKey of 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine?
The InChIKey is JKWJFKUPHNGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(3)8-13-10-6-4-5-7-11(10)14-12/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine?
2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine has a molecular weight of 191.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 114494580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).