2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine

C13H19N3O2 — CID 11994770

IUPAC2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESNc1ccc2c(c1)NCC(CN1CCOCC1)O2
InChIInChI=1S/C13H19N3O2/c14-10-1-2-13-12(7-10)15-8-11(18-13)9-16-3-5-17-6-4-16/h1-2,7,11,15H,3-6,8-9,14H2
InChIKeyXOKAQGSSPNZKLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.77
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine

2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine (PubChem CID 11994770) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine
PubChem CID11994770
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine
SMILESNc1ccc2c(c1)NCC(CN1CCOCC1)O2
InChIInChI=1S/C13H19N3O2/c14-10-1-2-13-12(7-10)15-8-11(18-13)9-16-3-5-17-6-4-16/h1-2,7,11,15H,3-6,8-9,14H2
InChIKeyXOKAQGSSPNZKLC-UHFFFAOYSA-N
XLogP0.77
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199391
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-morpholin-4-ylethanone
CID 82260983
6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one
CID 11994136
2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
CID 54487433
2-[(4,4-dimethylazepan-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 65282637
1-[(2R)-6-amino-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-2,2,2-trifluoroethanone
CID 125472684
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
(3S)-7-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 141423132
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43620468
2-[(3-methoxypiperidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 102963813
2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine-6-carboxylic acid
CID 82377019
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 64596935

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine (CID 11994770) is 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine is Nc1ccc2c(c1)NCC(CN1CCOCC1)O2.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
The InChIKey is XOKAQGSSPNZKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-1-2-13-12(7-10)15-8-11(18-13)9-16-3-5-17-6-4-16/h1-2,7,11,15H,3-6,8-9,14H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine?
2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine has a molecular weight of 249.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 11994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).