2,2-dimethyl-1,4-dihydro-3,1-benzoxazine

C10H13NO — CID 14025914

IUPAC2,2-dimethyl-1,4-dihydro-3,1-benzoxazine
SMILESCC1(C)Nc2ccccc2CO1
InChIInChI=1S/C10H13NO/c1-10(2)11-9-6-4-3-5-8(9)7-12-10/h3-6,11H,7H2,1-2H3
InChIKeyMAEQOIDZBKIVHI-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.36
Rot. Bonds

About 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine

2,2-dimethyl-1,4-dihydro-3,1-benzoxazine (PubChem CID 14025914) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-dihydro-3,1-benzoxazine
PubChem CID14025914
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,2-dimethyl-1,4-dihydro-3,1-benzoxazine
SMILESCC1(C)Nc2ccccc2CO1
InChIInChI=1S/C10H13NO/c1-10(2)11-9-6-4-3-5-8(9)7-12-10/h3-6,11H,7H2,1-2H3
InChIKeyMAEQOIDZBKIVHI-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine?
The IUPAC name of 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine (CID 14025914) is 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine.
What is the SMILES notation for 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine?
The canonical SMILES for 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine is CC1(C)Nc2ccccc2CO1.
What is the InChIKey of 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine?
The InChIKey is MAEQOIDZBKIVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)11-9-6-4-3-5-8(9)7-12-10/h3-6,11H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine?
2,2-dimethyl-1,4-dihydro-3,1-benzoxazine has a molecular weight of 163.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-dihydro-3,1-benzoxazine is sourced from PubChem (CID 14025914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).