4-[(2-phenylmethoxyphenyl)methylamino]phenol

C20H19NO2 — CID 833990

IUPAC4-[(2-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c22-19-12-10-18(11-13-19)21-14-17-8-4-5-9-20(17)23-15-16-6-2-1-3-7-16/h1-13,21-22H,14-15H2
InChIKeyZLPWCJQFEROJQN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.58
Rot. Bonds6

About 4-[(2-phenylmethoxyphenyl)methylamino]phenol

4-[(2-phenylmethoxyphenyl)methylamino]phenol (PubChem CID 833990) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(2-phenylmethoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-phenylmethoxyphenyl)methylamino]phenol
PubChem CID833990
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-[(2-phenylmethoxyphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H19NO2/c22-19-12-10-18(11-13-19)21-14-17-8-4-5-9-20(17)23-15-16-6-2-1-3-7-16/h1-13,21-22H,14-15H2
InChIKeyZLPWCJQFEROJQN-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'}

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Related Compounds

N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
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
2-(2-Methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
CID 5123423
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
4-[(4-iodophenyl)methoxy]-N-methylaniline
CID 65477722
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxyphenyl)methylamino]phenol?
The IUPAC name of 4-[(2-phenylmethoxyphenyl)methylamino]phenol (CID 833990) is 4-[(2-phenylmethoxyphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(2-phenylmethoxyphenyl)methylamino]phenol?
The canonical SMILES for 4-[(2-phenylmethoxyphenyl)methylamino]phenol is Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[(2-phenylmethoxyphenyl)methylamino]phenol?
The InChIKey is ZLPWCJQFEROJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-12-10-18(11-13-19)21-14-17-8-4-5-9-20(17)23-15-16-6-2-1-3-7-16/h1-13,21-22H,14-15H2.
What are the key properties of 4-[(2-phenylmethoxyphenyl)methylamino]phenol?
4-[(2-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-[(2-phenylmethoxyphenyl)methylamino]phenol is sourced from PubChem (CID 833990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).