8-phenyl-3,4-dihydro-2H-1,4-benzoxazine

C14H13NO — CID 135217965

IUPAC8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(-c2cccc3c2OCCN3)cc1
InChIInChI=1S/C14H13NO/c1-2-5-11(6-3-1)12-7-4-8-13-14(12)16-10-9-15-13/h1-8,15H,9-10H2
InChIKeyLLXZLJPGNWHQFF-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.16
Rot. Bonds1

About 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine

8-phenyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 135217965) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID135217965
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name8-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(-c2cccc3c2OCCN3)cc1
InChIInChI=1S/C14H13NO/c1-2-5-11(6-3-1)12-7-4-8-13-14(12)16-10-9-15-13/h1-8,15H,9-10H2
InChIKeyLLXZLJPGNWHQFF-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine (CID 135217965) is 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine is c1ccc(-c2cccc3c2OCCN3)cc1.
What is the InChIKey of 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LLXZLJPGNWHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-5-11(6-3-1)12-7-4-8-13-14(12)16-10-9-15-13/h1-8,15H,9-10H2.
What are the key properties of 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
8-phenyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 211.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 135217965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).