N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine

C15H14N2O — CID 15743035

IUPACN-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine
SMILESCc1ccc(NC2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C15H14N2O/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZKTDJOFBNCKBSQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.62
Rot. Bonds1

About N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine

N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine (PubChem CID 15743035) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine
PubChem CID15743035
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine
SMILESCc1ccc(NC2=Nc3ccccc3CO2)cc1
InChIInChI=1S/C15H14N2O/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZKTDJOFBNCKBSQ-UHFFFAOYSA-N
XLogP3.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine (CID 15743035) is N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine is Cc1ccc(NC2=Nc3ccccc3CO2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine?
The InChIKey is ZKTDJOFBNCKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine?
N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4H-3,1-benzoxazin-2-amine is sourced from PubChem (CID 15743035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).