4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol

C20H20N2O2 — CID 23471198

IUPAC4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccc(CNc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c23-19-9-5-17(6-10-19)21-13-15-1-2-16(4-3-15)14-22-18-7-11-20(24)12-8-18/h1-12,21-24H,13-14H2
InChIKeyCHDAWRIAMVCXPO-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.32
Rot. Bonds6

About 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol

4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol (PubChem CID 23471198) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol
PubChem CID23471198
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccc(CNc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c23-19-9-5-17(6-10-19)21-13-15-1-2-16(4-3-15)14-22-18-7-11-20(24)12-8-18/h1-12,21-24H,13-14H2
InChIKeyCHDAWRIAMVCXPO-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': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

C.I. Sulphur Blue 7
CID 22586
2-Hydroxydesipramine
CID 121249
4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
4-(4-(Methylamino)styryl)phenol
CID 10013901
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
MK2a Inhibitor
CID 11382492
N-(4-Hydroxyphenyl)cinnamamide
CID 639942
Phenol, 4-(octylamino)-
CID 10398601
Phenol, p-(dibenzylamino)-
CID 81978

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol?
The IUPAC name of 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol (CID 23471198) is 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol.
What is the SMILES notation for 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol?
The canonical SMILES for 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol is Oc1ccc(NCc2ccc(CNc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol?
The InChIKey is CHDAWRIAMVCXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-9-5-17(6-10-19)21-13-15-1-2-16(4-3-15)14-22-18-7-11-20(24)12-8-18/h1-12,21-24H,13-14H2.
What are the key properties of 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol?
4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]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 4-[[4-[(4-hydroxyanilino)methyl]phenyl]methylamino]phenol is sourced from PubChem (CID 23471198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).