N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline

C22H18N2O — CID 14343328

IUPACN-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline
SMILESCOc1c2ccccc2c(/C=N/Nc2ccccc2)c2ccccc12
InChIInChI=1S/C22H18N2O/c1-25-22-19-13-7-5-11-17(19)21(18-12-6-8-14-20(18)22)15-23-24-16-9-3-2-4-10-16/h2-15,24H,1H3/b23-15+
InChIKeyOYQVZVRWGGRDMG-HZHRSRAPSA-N
MW326.40 g/mol
LogP5.45
Rot. Bonds4

About N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline

N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline (PubChem CID 14343328) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline
PubChem CID14343328
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline
SMILESCOc1c2ccccc2c(/C=N/Nc2ccccc2)c2ccccc12
InChIInChI=1S/C22H18N2O/c1-25-22-19-13-7-5-11-17(19)21(18-12-6-8-14-20(18)22)15-23-24-16-9-3-2-4-10-16/h2-15,24H,1H3/b23-15+
InChIKeyOYQVZVRWGGRDMG-HZHRSRAPSA-N
XLogP5.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anthran_Z(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline (CID 14343328) is N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline is COc1c2ccccc2c(/C=N/Nc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline?
The InChIKey is OYQVZVRWGGRDMG-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-22-19-13-7-5-11-17(19)21(18-12-6-8-14-20(18)22)15-23-24-16-9-3-2-4-10-16/h2-15,24H,1H3/b23-15+.
What are the key properties of N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline?
N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline has a molecular weight of 326.40 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(10-methoxyanthracen-9-yl)methylideneamino]aniline is sourced from PubChem (CID 14343328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).