1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine

C11H15FN2O — CID 84621363

IUPAC1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCNCC1Oc2ccc(F)cc2NC1C
InChIInChI=1S/C11H15FN2O/c1-7-11(6-13-2)15-10-4-3-8(12)5-9(10)14-7/h3-5,7,11,13-14H,6H2,1-2H3
InChIKeyUIBNFJZSVFGUGW-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.61
Rot. Bonds2

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

1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine (PubChem CID 84621363) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
PubChem CID84621363
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
SMILESCNCC1Oc2ccc(F)cc2NC1C
InChIInChI=1S/C11H15FN2O/c1-7-11(6-13-2)15-10-4-3-8(12)5-9(10)14-7/h3-5,7,11,13-14H,6H2,1-2H3
InChIKeyUIBNFJZSVFGUGW-UHFFFAOYSA-N
XLogP1.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
CID 84628313
1-[3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]ethanone
CID 84627788
2-(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylethanamine
CID 84628406
5-fluoro-2,3-dihydro-1,3-benzoxazol-2-amine
CID 164602655
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 84619169
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetonitrile
CID 84619869
3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 83914941
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
CID 84628327
2-(aminomethyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 84619986
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine (CID 84621363) is 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine is CNCC1Oc2ccc(F)cc2NC1C.
What is the InChIKey of 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine?
The InChIKey is UIBNFJZSVFGUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7-11(6-13-2)15-10-4-3-8(12)5-9(10)14-7/h3-5,7,11,13-14H,6H2,1-2H3.
What are the key properties of 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine?
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine has a molecular weight of 210.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84621363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).