6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine

C22H21NO — CID 143809181

IUPAC6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1
InChIInChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3
InChIKeyKAKJYYOYBULTRP-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.94
Rot. Bonds3

About 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine

6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 143809181) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID143809181
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1
InChIInChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3
InChIKeyKAKJYYOYBULTRP-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 143809181) is 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine is Cc1cccc(Cc2ccc3c(c2)CN(c2ccccc2)CO3)c1.
What is the InChIKey of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is KAKJYYOYBULTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-6-5-7-18(12-17)13-19-10-11-22-20(14-19)15-23(16-24-22)21-8-3-2-4-9-21/h2-12,14H,13,15-16H2,1H3.
What are the key properties of 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine?
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 315.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 143809181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).