2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine

C11H15FN2O — CID 84621374

IUPAC2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
SMILESCN1c2ccc(F)cc2OCC1CCN
InChIInChI=1S/C11H15FN2O/c1-14-9(4-5-13)7-15-11-6-8(12)2-3-10(11)14/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyAZZPZCMJRQYIHW-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.37
Rot. Bonds2

About 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine

2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine (PubChem CID 84621374) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
PubChem CID84621374
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
SMILESCN1c2ccc(F)cc2OCC1CCN
InChIInChI=1S/C11H15FN2O/c1-14-9(4-5-13)7-15-11-6-8(12)2-3-10(11)14/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyAZZPZCMJRQYIHW-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
N-benzyl-2-[(3S)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055943
N-benzyl-2-[(3R)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95055944
N-benzyl-2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034102
2-(4,8-dimethyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine
CID 84620761
3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 83397563
ethyl 2-[(3S)-4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
CID 92750204
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 174029248
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
methyl 3-(2-aminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 84633746
3-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)propanoic acid
CID 84635818

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The IUPAC name of 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine (CID 84621374) is 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The canonical SMILES for 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine is CN1c2ccc(F)cc2OCC1CCN.
What is the InChIKey of 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
The InChIKey is AZZPZCMJRQYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-14-9(4-5-13)7-15-11-6-8(12)2-3-10(11)14/h2-3,6,9H,4-5,7,13H2,1H3.
What are the key properties of 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine?
2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine has a molecular weight of 210.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)ethanamine is sourced from PubChem (CID 84621374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).