ethane;methanamine;2-methyl-1,2-benzoxazine

C12H20N2O — CID 142426534

IUPACethane;methanamine;2-methyl-1,2-benzoxazine
SMILESCC.CN.CN1C=Cc2ccccc2O1
InChIInChI=1S/C9H9NO.C2H6.CH5N/c1-10-7-6-8-4-2-3-5-9(8)11-10;2*1-2/h2-7H,1H3;1-2H3;2H2,1H3
InChIKeyQQBQYXWSYYIIIL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.50
Rot. Bonds

About ethane;methanamine;2-methyl-1,2-benzoxazine

ethane;methanamine;2-methyl-1,2-benzoxazine (PubChem CID 142426534) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;methanamine;2-methyl-1,2-benzoxazine.

Molecular Properties

Compound Nameethane;methanamine;2-methyl-1,2-benzoxazine
PubChem CID142426534
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Nameethane;methanamine;2-methyl-1,2-benzoxazine
SMILESCC.CN.CN1C=Cc2ccccc2O1
InChIInChI=1S/C9H9NO.C2H6.CH5N/c1-10-7-6-8-4-2-3-5-9(8)11-10;2*1-2/h2-7H,1H3;1-2H3;2H2,1H3
InChIKeyQQBQYXWSYYIIIL-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-methyl-1,2-benzoxazine?
The IUPAC name of ethane;methanamine;2-methyl-1,2-benzoxazine (CID 142426534) is ethane;methanamine;2-methyl-1,2-benzoxazine.
What is the SMILES notation for ethane;methanamine;2-methyl-1,2-benzoxazine?
The canonical SMILES for ethane;methanamine;2-methyl-1,2-benzoxazine is CC.CN.CN1C=Cc2ccccc2O1.
What is the InChIKey of ethane;methanamine;2-methyl-1,2-benzoxazine?
The InChIKey is QQBQYXWSYYIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6.CH5N/c1-10-7-6-8-4-2-3-5-9(8)11-10;2*1-2/h2-7H,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-methyl-1,2-benzoxazine?
ethane;methanamine;2-methyl-1,2-benzoxazine has a molecular weight of 208.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-methyl-1,2-benzoxazine is sourced from PubChem (CID 142426534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).