7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine

C15H15NO — CID 58184388

IUPAC7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCCN2c1ccccc1
InChIInChI=1S/C15H15NO/c1-12-7-8-14-15(11-12)17-10-9-16(14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeySXTBSCOYVNISBM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.53
Rot. Bonds1

About 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine

7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 58184388) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
PubChem CID58184388
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCCN2c1ccccc1
InChIInChI=1S/C15H15NO/c1-12-7-8-14-15(11-12)17-10-9-16(14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeySXTBSCOYVNISBM-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine (CID 58184388) is 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine is Cc1ccc2c(c1)OCCN2c1ccccc1.
What is the InChIKey of 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SXTBSCOYVNISBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-7-8-14-15(11-12)17-10-9-16(14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 225.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 58184388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).