6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C17H19NO — CID 116817517

IUPAC6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)cc(-c2ccc3c(c2)NC(C)CO3)c1
InChIInChI=1S/C17H19NO/c1-11-6-12(2)8-15(7-11)14-4-5-17-16(9-14)18-13(3)10-19-17/h4-9,13,18H,10H2,1-3H3
InChIKeyBANMGFUJBWZFOF-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.16
Rot. Bonds1

About 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817517) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817517
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)cc(-c2ccc3c(c2)NC(C)CO3)c1
InChIInChI=1S/C17H19NO/c1-11-6-12(2)8-15(7-11)14-4-5-17-16(9-14)18-13(3)10-19-17/h4-9,13,18H,10H2,1-3H3
InChIKeyBANMGFUJBWZFOF-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 116817517) is 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)cc(-c2ccc3c(c2)NC(C)CO3)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BANMGFUJBWZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-6-12(2)8-15(7-11)14-4-5-17-16(9-14)18-13(3)10-19-17/h4-9,13,18H,10H2,1-3H3.
What are the key properties of 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 253.34 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).