1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone

C14H20N2O2 — CID 84633172

IUPAC1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
SMILESCNCCC1Oc2ccc(C(C)=O)cc2NC1C
InChIInChI=1S/C14H20N2O2/c1-9-13(6-7-15-3)18-14-5-4-11(10(2)17)8-12(14)16-9/h4-5,8-9,13,15-16H,6-7H2,1-3H3
InChIKeyQOAFJYWRFRVXAK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.06
Rot. Bonds4

About 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone

1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone (PubChem CID 84633172) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
PubChem CID84633172
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
SMILESCNCCC1Oc2ccc(C(C)=O)cc2NC1C
InChIInChI=1S/C14H20N2O2/c1-9-13(6-7-15-3)18-14-5-4-11(10(2)17)8-12(14)16-9/h4-5,8-9,13,15-16H,6-7H2,1-3H3
InChIKeyQOAFJYWRFRVXAK-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone with MolForge

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Related Compounds

1-[3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627788
1-[2-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627787
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
CID 84628406
3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 84628313
methyl 2-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84634284
methyl 2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84628338
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
2-(6-tert-butyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 84639220
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 84619169
1-[3-[4-(methylamino)but-1-ynyl]phenyl]ethanone
CID 170464206

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone?
The IUPAC name of 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone (CID 84633172) is 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone?
The canonical SMILES for 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone is CNCCC1Oc2ccc(C(C)=O)cc2NC1C.
What is the InChIKey of 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone?
The InChIKey is QOAFJYWRFRVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-13(6-7-15-3)18-14-5-4-11(10(2)17)8-12(14)16-9/h4-5,8-9,13,15-16H,6-7H2,1-3H3.
What are the key properties of 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone?
1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone is sourced from PubChem (CID 84633172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).