N-phenyl-4H-3,1-benzoxazin-2-amine

C14H12N2O — CID 14547978

IUPACN-phenyl-4H-3,1-benzoxazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C14H12N2O/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeyAHBLDUCUCWXEIJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.32
Rot. Bonds1

About N-phenyl-4H-3,1-benzoxazin-2-amine

N-phenyl-4H-3,1-benzoxazin-2-amine (PubChem CID 14547978) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-phenyl-4H-3,1-benzoxazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4H-3,1-benzoxazin-2-amine
PubChem CID14547978
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-phenyl-4H-3,1-benzoxazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C14H12N2O/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeyAHBLDUCUCWXEIJ-UHFFFAOYSA-N
XLogP3.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-4H-3,1-benzoxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4H-3,1-benzoxazin-2-amine?
The IUPAC name of N-phenyl-4H-3,1-benzoxazin-2-amine (CID 14547978) is N-phenyl-4H-3,1-benzoxazin-2-amine.
What is the SMILES notation for N-phenyl-4H-3,1-benzoxazin-2-amine?
The canonical SMILES for N-phenyl-4H-3,1-benzoxazin-2-amine is c1ccc(NC2=Nc3ccccc3CO2)cc1.
What is the InChIKey of N-phenyl-4H-3,1-benzoxazin-2-amine?
The InChIKey is AHBLDUCUCWXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16).
What are the key properties of N-phenyl-4H-3,1-benzoxazin-2-amine?
N-phenyl-4H-3,1-benzoxazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4H-3,1-benzoxazin-2-amine is sourced from PubChem (CID 14547978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).