2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

C17H18FNO — CID 115996218

IUPAC2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NC(C)C(c1ccccc1F)O2
InChIInChI=1S/C17H18FNO/c1-10-8-11(2)16-15(9-10)19-12(3)17(20-16)13-6-4-5-7-14(13)18/h4-9,12,17,19H,1-3H3
InChIKeyKLZNQCGNBONAFD-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.38
Rot. Bonds1

About 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 115996218) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID115996218
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c2c(c1)NC(C)C(c1ccccc1F)O2
InChIInChI=1S/C17H18FNO/c1-10-8-11(2)16-15(9-10)19-12(3)17(20-16)13-6-4-5-7-14(13)18/h4-9,12,17,19H,1-3H3
InChIKeyKLZNQCGNBONAFD-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-(2-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 112679294
9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine
CID 115825640
3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
CID 84619886
4-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882341
2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84621369
(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine
CID 54517292
8-chloro-6-fluoro-2-(3-fluorophenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 114872241
2-(5-fluoro-2-pyridinyl)-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 83124754
2-methyl-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 115503382
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 115996218) is 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c2c(c1)NC(C)C(c1ccccc1F)O2.
What is the InChIKey of 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KLZNQCGNBONAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-10-8-11(2)16-15(9-10)19-12(3)17(20-16)13-6-4-5-7-14(13)18/h4-9,12,17,19H,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 271.33 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 115996218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).