4-[(3-phenylmethoxyphenyl)methylamino]phenol

C20H19NO2 — CID 833984

IUPAC4-[(3-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO2/c22-19-11-9-18(10-12-19)21-14-17-7-4-8-20(13-17)23-15-16-5-2-1-3-6-16/h1-13,21-22H,14-15H2
InChIKeyGFECOOFCDDVUEF-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.58
Rot. Bonds6

About 4-[(3-phenylmethoxyphenyl)methylamino]phenol

4-[(3-phenylmethoxyphenyl)methylamino]phenol (PubChem CID 833984) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(3-phenylmethoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(3-phenylmethoxyphenyl)methylamino]phenol
PubChem CID833984
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-[(3-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO2/c22-19-11-9-18(10-12-19)21-14-17-7-4-8-20(13-17)23-15-16-5-2-1-3-6-16/h1-13,21-22H,14-15H2
InChIKeyGFECOOFCDDVUEF-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-[(3-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

Related Compounds

N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
GW-9508
CID 11595431
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
4-[(4-iodophenyl)methoxy]-N-methylaniline
CID 65477722
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
3-(3-{[(3-Phenoxyphenyl)methyl]amino}phenyl)propanoic acid
CID 24825480
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylmethoxyphenyl)methylamino]phenol?
The IUPAC name of 4-[(3-phenylmethoxyphenyl)methylamino]phenol (CID 833984) is 4-[(3-phenylmethoxyphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(3-phenylmethoxyphenyl)methylamino]phenol?
The canonical SMILES for 4-[(3-phenylmethoxyphenyl)methylamino]phenol is Oc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[(3-phenylmethoxyphenyl)methylamino]phenol?
The InChIKey is GFECOOFCDDVUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-11-9-18(10-12-19)21-14-17-7-4-8-20(13-17)23-15-16-5-2-1-3-6-16/h1-13,21-22H,14-15H2.
What are the key properties of 4-[(3-phenylmethoxyphenyl)methylamino]phenol?
4-[(3-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-[(3-phenylmethoxyphenyl)methylamino]phenol is sourced from PubChem (CID 833984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).