4-[(4-phenylmethoxyphenyl)methylamino]phenol

C20H19NO2 — CID 833994

IUPAC4-[(4-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-13,21-22H,14-15H2
InChIKeyMYNKLGZVBMXIGU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.58
Rot. Bonds6

About 4-[(4-phenylmethoxyphenyl)methylamino]phenol

4-[(4-phenylmethoxyphenyl)methylamino]phenol (PubChem CID 833994) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(4-phenylmethoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-phenylmethoxyphenyl)methylamino]phenol
PubChem CID833994
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-[(4-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-13,21-22H,14-15H2
InChIKeyMYNKLGZVBMXIGU-UHFFFAOYSA-N
XLogP4.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[(4-phenylmethoxyphenyl)methylamino]phenol 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 4-[(4-phenylmethoxyphenyl)methylamino]phenol?
The IUPAC name of 4-[(4-phenylmethoxyphenyl)methylamino]phenol (CID 833994) is 4-[(4-phenylmethoxyphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(4-phenylmethoxyphenyl)methylamino]phenol?
The canonical SMILES for 4-[(4-phenylmethoxyphenyl)methylamino]phenol is Oc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylmethoxyphenyl)methylamino]phenol?
The InChIKey is MYNKLGZVBMXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-10-8-18(9-11-19)21-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-13,21-22H,14-15H2.
What are the key properties of 4-[(4-phenylmethoxyphenyl)methylamino]phenol?
4-[(4-phenylmethoxyphenyl)methylamino]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylmethoxyphenyl)methylamino]phenol is sourced from PubChem (CID 833994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).