phenyl-(N-phenylmethoxyanilino)azanium

C19H19N2O+ — CID 100920808

IUPACphenyl-(N-phenylmethoxyanilino)azanium
SMILESc1ccc(CON([NH2+]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-4-10-17(11-5-1)16-22-21(19-14-8-3-9-15-19)20-18-12-6-2-7-13-18/h1-15,20H,16H2/p+1
InChIKeyQALUWOUNPGSBKQ-UHFFFAOYSA-O
MW291.37 g/mol
LogP3.43
Rot. Bonds6

About phenyl-(N-phenylmethoxyanilino)azanium

phenyl-(N-phenylmethoxyanilino)azanium (PubChem CID 100920808) has the molecular formula C19H19N2O+ and a molecular weight of 291.37 g/mol. Its IUPAC name is phenyl-(N-phenylmethoxyanilino)azanium.

Molecular Properties

Compound Namephenyl-(N-phenylmethoxyanilino)azanium
PubChem CID100920808
Molecular FormulaC19H19N2O+
Molecular Weight291.37 g/mol
Exact Mass291.15
IUPAC Namephenyl-(N-phenylmethoxyanilino)azanium
SMILESc1ccc(CON([NH2+]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O/c1-4-10-17(11-5-1)16-22-21(19-14-8-3-9-15-19)20-18-12-6-2-7-13-18/h1-15,20H,16H2/p+1
InChIKeyQALUWOUNPGSBKQ-UHFFFAOYSA-O
XLogP3.43
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(N-phenylmethoxyanilino)azanium?
The IUPAC name of phenyl-(N-phenylmethoxyanilino)azanium (CID 100920808) is phenyl-(N-phenylmethoxyanilino)azanium.
What is the SMILES notation for phenyl-(N-phenylmethoxyanilino)azanium?
The canonical SMILES for phenyl-(N-phenylmethoxyanilino)azanium is c1ccc(CON([NH2+]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl-(N-phenylmethoxyanilino)azanium?
The InChIKey is QALUWOUNPGSBKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O/c1-4-10-17(11-5-1)16-22-21(19-14-8-3-9-15-19)20-18-12-6-2-7-13-18/h1-15,20H,16H2/p+1.
What are the key properties of phenyl-(N-phenylmethoxyanilino)azanium?
phenyl-(N-phenylmethoxyanilino)azanium has a molecular weight of 291.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(N-phenylmethoxyanilino)azanium is sourced from PubChem (CID 100920808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).