7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C18H20FNO — CID 146618626

IUPAC7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1ccc(-c2ccc3c(c2)OCCN3C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12(2)13-4-6-15(16(19)10-13)14-5-7-17-18(11-14)21-9-8-20(17)3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyLYLZFTVGDFGYDH-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.44
Rot. Bonds2

About 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 146618626) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID146618626
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1ccc(-c2ccc3c(c2)OCCN3C)c(F)c1
InChIInChI=1S/C18H20FNO/c1-12(2)13-4-6-15(16(19)10-13)14-5-7-17-18(11-14)21-9-8-20(17)3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyLYLZFTVGDFGYDH-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 146618626) is 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is CC(C)c1ccc(-c2ccc3c(c2)OCCN3C)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is LYLZFTVGDFGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(2)13-4-6-15(16(19)10-13)14-5-7-17-18(11-14)21-9-8-20(17)3/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 285.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 146618626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).