4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol

C19H16N2O — CID 136697386

IUPAC4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
SMILESNc1ccc(-c2ccc(/N=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-13,22H,20H2/b21-13+
InChIKeyPDVSNXIRLRXOOK-FYJGNVAPSA-N
MW288.35 g/mol
LogP4.39
Rot. Bonds3

About 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol

4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol (PubChem CID 136697386) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
PubChem CID136697386
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
SMILESNc1ccc(-c2ccc(/N=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C19H16N2O/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-13,22H,20H2/b21-13+
InChIKeyPDVSNXIRLRXOOK-FYJGNVAPSA-N
XLogP4.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol (CID 136697386) is 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol is Nc1ccc(-c2ccc(/N=C/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol?
The InChIKey is PDVSNXIRLRXOOK-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H16N2O/c20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)21-13-14-1-11-19(22)12-2-14/h1-13,22H,20H2/b21-13+.
What are the key properties of 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol?
4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 136697386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).