2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine

C13H19N3O2 — CID 54487433

IUPAC2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
SMILESNN1CC(CN2CCOCC2)Oc2ccccc21
InChIInChI=1S/C13H19N3O2/c14-16-10-11(9-15-5-7-17-8-6-15)18-13-4-2-1-3-12(13)16/h1-4,11H,5-10,14H2
InChIKeyXTHRCXLOLPXCGH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.46
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine

2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine (PubChem CID 54487433) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
PubChem CID54487433
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
SMILESNN1CC(CN2CCOCC2)Oc2ccccc21
InChIInChI=1S/C13H19N3O2/c14-16-10-11(9-15-5-7-17-8-6-15)18-13-4-2-1-3-12(13)16/h1-4,11H,5-10,14H2
InChIKeyXTHRCXLOLPXCGH-UHFFFAOYSA-N
XLogP0.46
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-(diethylaminomethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
CID 54431175
8-chloro-2-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazin-4-amine
CID 54342977
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 11994770
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111026780
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-propylpiperazine;dihydrochloride
CID 52997126
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-one
CID 13253821
CID 139239818
CID 139239818
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine (CID 54487433) is 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine is NN1CC(CN2CCOCC2)Oc2ccccc21.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine?
The InChIKey is XTHRCXLOLPXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-16-10-11(9-15-5-7-17-8-6-15)18-13-4-2-1-3-12(13)16/h1-4,11H,5-10,14H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine?
2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine is sourced from PubChem (CID 54487433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).