2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine

C13H20N2O2 — CID 84628406

IUPAC2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
SMILESCNCCC1Oc2ccc(OC)cc2NC1C
InChIInChI=1S/C13H20N2O2/c1-9-12(6-7-14-2)17-13-5-4-10(16-3)8-11(13)15-9/h4-5,8-9,12,14-15H,6-7H2,1-3H3
InChIKeyYYURVVAEUKHRIP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds4

About 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine

2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine (PubChem CID 84628406) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
PubChem CID84628406
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
SMILESCNCCC1Oc2ccc(OC)cc2NC1C
InChIInChI=1S/C13H20N2O2/c1-9-12(6-7-14-2)17-13-5-4-10(16-3)8-11(13)15-9/h4-5,8-9,12,14-15H,6-7H2,1-3H3
InChIKeyYYURVVAEUKHRIP-UHFFFAOYSA-N
XLogP1.87
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-methyl-2-[2-(methylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84633172
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-methylethanamine
CID 84634720
methyl 2-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 84634284
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
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-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetonitrile
CID 84619869
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 84619986
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
2-(6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84620166

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine (CID 84628406) is 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine is CNCCC1Oc2ccc(OC)cc2NC1C.
What is the InChIKey of 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine?
The InChIKey is YYURVVAEUKHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-12(6-7-14-2)17-13-5-4-10(16-3)8-11(13)15-9/h4-5,8-9,12,14-15H,6-7H2,1-3H3.
What are the key properties of 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine?
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84628406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).