6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine

C18H20FNO — CID 938805

IUPAC6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)CN(c1ccc(F)cc1)CO2
InChIInChI=1S/C18H20FNO/c1-18(2,3)14-4-9-17-13(10-14)11-20(12-21-17)16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3
InChIKeyDABMRRLKRDKRCQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.48
Rot. Bonds1

About 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine

6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 938805) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID938805
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCC(C)(C)c1ccc2c(c1)CN(c1ccc(F)cc1)CO2
InChIInChI=1S/C18H20FNO/c1-18(2,3)14-4-9-17-13(10-14)11-20(12-21-17)16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3
InChIKeyDABMRRLKRDKRCQ-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-Butyl-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 227114
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
3-(4-Methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
CID 4337747
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424
1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760170
1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10807686
1-[(4-Methoxy-2,3-dimethylphenyl)methyl]-4-phenylpiperazine
CID 785690
2-[(3,4-dihydro-2H-quinolin-1-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 16099234
6,6'-Methylenebis(3-phenyl-3,4-dihydro-2H-1,3-benzoxazine)
CID 20582009
1-[3-(2-Methoxyphenyl)-2-propen-1-yl]-4-phenylpiperazine
CID 783076
1-[3-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 14978224

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (CID 938805) is 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is CC(C)(C)c1ccc2c(c1)CN(c1ccc(F)cc1)CO2.
What is the InChIKey of 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is DABMRRLKRDKRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-18(2,3)14-4-9-17-13(10-14)11-20(12-21-17)16-7-5-15(19)6-8-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 285.36 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 938805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).