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

C16H17NO — CID 45104901

IUPAC6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc(N2COc3ccc(C)cc3C2)cc1
InChIInChI=1S/C16H17NO/c1-12-3-6-15(7-4-12)17-10-14-9-13(2)5-8-16(14)18-11-17/h3-9H,10-11H2,1-2H3
InChIKeyKCQSULBGJSFNFJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.66
Rot. Bonds1

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

6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 45104901) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID45104901
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc(N2COc3ccc(C)cc3C2)cc1
InChIInChI=1S/C16H17NO/c1-12-3-6-15(7-4-12)17-10-14-9-13(2)5-8-16(14)18-11-17/h3-9H,10-11H2,1-2H3
InChIKeyKCQSULBGJSFNFJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 45104901) is 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine is Cc1ccc(N2COc3ccc(C)cc3C2)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is KCQSULBGJSFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-3-6-15(7-4-12)17-10-14-9-13(2)5-8-16(14)18-11-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine?
6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 239.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 45104901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).