3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C15H14FNO2 — CID 116837207

IUPAC3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(F)cc1C1COc2ccccc2N1
InChIInChI=1S/C15H14FNO2/c1-18-14-7-6-10(16)8-11(14)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3
InChIKeyJCGCNNDSLHGNSY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.38
Rot. Bonds2

About 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837207) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837207
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(F)cc1C1COc2ccccc2N1
InChIInChI=1S/C15H14FNO2/c1-18-14-7-6-10(16)8-11(14)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3
InChIKeyJCGCNNDSLHGNSY-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837206
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837271
3-(1-benzofuran-3-yl)-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 116837686
tert-butyl N-[4-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3-fluorophenyl]carbamate
CID 167449499
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
N-[4-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3-fluorophenyl]prop-2-enamide
CID 167449607
(4R)-4-(2,5-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184283

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837207) is 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(F)cc1C1COc2ccccc2N1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is JCGCNNDSLHGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-18-14-7-6-10(16)8-11(14)13-9-19-15-5-3-2-4-12(15)17-13/h2-8,13,17H,9H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 259.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).