2H-1,2-benzoxazine;methanamine

C9H12N2O — CID 22349486

IUPAC2H-1,2-benzoxazine;methanamine
SMILESC1=Cc2ccccc2ON1.CN
InChIInChI=1S/C8H7NO.CH5N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2/h1-6,9H;2H2,1H3
InChIKeyFDKSQJMZRRIHNE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.13
Rot. Bonds

About 2H-1,2-benzoxazine;methanamine

2H-1,2-benzoxazine;methanamine (PubChem CID 22349486) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;methanamine.

Molecular Properties

Compound Name2H-1,2-benzoxazine;methanamine
PubChem CID22349486
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2H-1,2-benzoxazine;methanamine
SMILESC1=Cc2ccccc2ON1.CN
InChIInChI=1S/C8H7NO.CH5N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2/h1-6,9H;2H2,1H3
InChIKeyFDKSQJMZRRIHNE-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2-benzoxazine;ethane-1,2-diol
CID 175297892
2H-1,2-benzoxazine;prop-2-en-1-amine
CID 175090238
2H-1,2-benzoxazine;cyclohexanamine
CID 175182018
2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
CID 118163764
2H-1,2-benzoxazine;1H-pyrazole
CID 89454286
2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
CID 159437520
CID 67470092
CID 67470092
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
6-propan-2-yl-2H-1,2-benzoxazine
CID 178028695
2H-1,2-benzoxazin-3-yl(trimethyl)silane
CID 175984014
3-ethyl-2H-1,2-benzoxazine
CID 118169184
2H-chromene-2-thiol
CID 154323304

Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;methanamine?
The IUPAC name of 2H-1,2-benzoxazine;methanamine (CID 22349486) is 2H-1,2-benzoxazine;methanamine.
What is the SMILES notation for 2H-1,2-benzoxazine;methanamine?
The canonical SMILES for 2H-1,2-benzoxazine;methanamine is C1=Cc2ccccc2ON1.CN.
What is the InChIKey of 2H-1,2-benzoxazine;methanamine?
The InChIKey is FDKSQJMZRRIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.CH5N/c1-2-4-8-7(3-1)5-6-9-10-8;1-2/h1-6,9H;2H2,1H3.
What are the key properties of 2H-1,2-benzoxazine;methanamine?
2H-1,2-benzoxazine;methanamine has a molecular weight of 164.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;methanamine is sourced from PubChem (CID 22349486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).