2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol

C20H20N2O2 — CID 6102658

IUPAC2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccccc1NCc1ccccc1O
InChIInChI=1S/C20H20N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-12,21-24H,13-14H2
InChIKeyHGBSHORRPLIYFU-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.32
Rot. Bonds6

About 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol

2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol (PubChem CID 6102658) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol
PubChem CID6102658
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccccc1NCc1ccccc1O
InChIInChI=1S/C20H20N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-12,21-24H,13-14H2
InChIKeyHGBSHORRPLIYFU-UHFFFAOYSA-N
XLogP4.32
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
Phenol, p-(dibenzylamino)-
CID 81978
Phenol, 4-[(phenylmethyl)amino]-, hydrochloride (1:1)
CID 16738613
2-(Anilinomethyl)phenol
CID 220804
N-(2-Hydroxybenzylidene)-N'-phenyl-1,4-phenylenediamine
CID 689843
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
2-{[(2,4-Dimethylphenyl)amino]methyl}phenol
CID 292419
4-(N-benzyl-4-hydroxyanilino)phenol
CID 44580307
N-Benzyl-4-hydroxyanilinium chloride
CID 69316

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol (CID 6102658) is 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol is Oc1ccccc1CNc1ccccc1NCc1ccccc1O.
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol?
The InChIKey is HGBSHORRPLIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-12,21-24H,13-14H2.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol?
2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxyphenyl)methylamino]anilino]methyl]phenol is sourced from PubChem (CID 6102658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).