1,2-benzoxazin-2-ylmethanamine

C9H10N2O — CID 22167844

IUPAC1,2-benzoxazin-2-ylmethanamine
SMILESNCN1C=Cc2ccccc2O1
InChIInChI=1S/C9H10N2O/c10-7-11-6-5-8-3-1-2-4-9(8)12-11/h1-6H,7,10H2
InChIKeyJDJYEROELNACKC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds1

About 1,2-benzoxazin-2-ylmethanamine

1,2-benzoxazin-2-ylmethanamine (PubChem CID 22167844) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,2-benzoxazin-2-ylmethanamine.

Molecular Properties

Compound Name1,2-benzoxazin-2-ylmethanamine
PubChem CID22167844
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,2-benzoxazin-2-ylmethanamine
SMILESNCN1C=Cc2ccccc2O1
InChIInChI=1S/C9H10N2O/c10-7-11-6-5-8-3-1-2-4-9(8)12-11/h1-6H,7,10H2
InChIKeyJDJYEROELNACKC-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazines
CID 17845026
7,8-Difluorobenz-oxazine
CID 134823990
Benzoxazine hydrochloride
CID 17845025
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CID 21866442
Dihydrobenzoxazepine
CID 21893792
1,2-Benzoxazin-2-ium 2-oxide
CID 21912713
Aminobenzoxazine
CID 22177461
Methylbenzoxazine
CID 22266726
Salicylidenemethylamine
CID 66661311
Allyl benzoxazine
CID 67120017
Nitrobenzoxazine
CID 68511059
Monobromobenzoxazine
CID 68559991

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazin-2-ylmethanamine?
The IUPAC name of 1,2-benzoxazin-2-ylmethanamine (CID 22167844) is 1,2-benzoxazin-2-ylmethanamine.
What is the SMILES notation for 1,2-benzoxazin-2-ylmethanamine?
The canonical SMILES for 1,2-benzoxazin-2-ylmethanamine is NCN1C=Cc2ccccc2O1.
What is the InChIKey of 1,2-benzoxazin-2-ylmethanamine?
The InChIKey is JDJYEROELNACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-7-11-6-5-8-3-1-2-4-9(8)12-11/h1-6H,7,10H2.
What are the key properties of 1,2-benzoxazin-2-ylmethanamine?
1,2-benzoxazin-2-ylmethanamine has a molecular weight of 162.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazin-2-ylmethanamine is sourced from PubChem (CID 22167844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).