2-propan-2-yl-2H-1,4-benzoxazine

C11H13NO — CID 91262938

IUPAC2-propan-2-yl-2H-1,4-benzoxazine
SMILESCC(C)C1C=Nc2ccccc2O1
InChIInChI=1S/C11H13NO/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-8,11H,1-2H3
InChIKeyIWLXIWYHWSZLBK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.81
Rot. Bonds1

About 2-propan-2-yl-2H-1,4-benzoxazine

2-propan-2-yl-2H-1,4-benzoxazine (PubChem CID 91262938) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-propan-2-yl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-propan-2-yl-2H-1,4-benzoxazine
PubChem CID91262938
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-propan-2-yl-2H-1,4-benzoxazine
SMILESCC(C)C1C=Nc2ccccc2O1
InChIInChI=1S/C11H13NO/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-8,11H,1-2H3
InChIKeyIWLXIWYHWSZLBK-UHFFFAOYSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-ethoxy-2-isocyanato-
CID 79374
(2-Isobutoxyphenyl)amine
CID 13654662
o-Ethoxyphenyl isothiocyanate
CID 123407
(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine
CID 6536132
Benzenamine, 2-methoxy-N-(phenylmethylene)-, (E)-
CID 262170
7,8-difluoro-3-methyl-2H-1,4-benzoxazine
CID 10943117
3H-phenoxazine
CID 23120633
Methyl 2h benz[b][1,4]oxazin
CID 53907502
Benzene,1-butoxy-2-isothiocyanato-
CID 4558872
N-(4-methoxyphenyl)-2-methylpropan-1-imine
CID 10976041
Cyclohepta[b][1,4]benzoxazine
CID 11095532
2H-1,4-Benzoxazine, 3-methyl-
CID 11744778

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2H-1,4-benzoxazine?
The IUPAC name of 2-propan-2-yl-2H-1,4-benzoxazine (CID 91262938) is 2-propan-2-yl-2H-1,4-benzoxazine.
What is the SMILES notation for 2-propan-2-yl-2H-1,4-benzoxazine?
The canonical SMILES for 2-propan-2-yl-2H-1,4-benzoxazine is CC(C)C1C=Nc2ccccc2O1.
What is the InChIKey of 2-propan-2-yl-2H-1,4-benzoxazine?
The InChIKey is IWLXIWYHWSZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-8,11H,1-2H3.
What are the key properties of 2-propan-2-yl-2H-1,4-benzoxazine?
2-propan-2-yl-2H-1,4-benzoxazine has a molecular weight of 175.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2H-1,4-benzoxazine is sourced from PubChem (CID 91262938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).