4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine

C22H20ClNO — CID 141028648

IUPAC4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1(Cc2ccccc2)OCNc2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H20ClNO/c1-22(14-16-6-3-2-4-7-16)20-13-18(10-11-21(20)24-15-25-22)17-8-5-9-19(23)12-17/h2-13,24H,14-15H2,1H3
InChIKeyXAPLISKWPRFWBS-UHFFFAOYSA-N
MW349.86 g/mol
LogP5.86
Rot. Bonds3

About 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine

4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine (PubChem CID 141028648) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine
PubChem CID141028648
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC Name4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1(Cc2ccccc2)OCNc2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H20ClNO/c1-22(14-16-6-3-2-4-7-16)20-13-18(10-11-21(20)24-15-25-22)17-8-5-9-19(23)12-17/h2-13,24H,14-15H2,1H3
InChIKeyXAPLISKWPRFWBS-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-(3-chlorophenyl)-5-methyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one
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5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
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1-chloro-3-(2-phenylphenyl)benzene
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2-[(3-chlorophenyl)methyl]-5-phenyl-1H-pyrazole-3-thione
CID 63488213
2-[4-(3-chlorophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 158375785

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine (CID 141028648) is 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine is CC1(Cc2ccccc2)OCNc2ccc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is XAPLISKWPRFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c1-22(14-16-6-3-2-4-7-16)20-13-18(10-11-21(20)24-15-25-22)17-8-5-9-19(23)12-17/h2-13,24H,14-15H2,1H3.
What are the key properties of 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine?
4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 349.86 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(3-chlorophenyl)-4-methyl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 141028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).