4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol

C15H19N3O2 — CID 23437250

IUPAC4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
SMILESNc1ccc(O)c(CNc2ccc(N)cc2CCO)c1
InChIInChI=1S/C15H19N3O2/c16-12-1-3-14(10(7-12)5-6-19)18-9-11-8-13(17)2-4-15(11)20/h1-4,7-8,18-20H,5-6,9,16-17H2
InChIKeyALBHYFWHNUURES-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol

4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol (PubChem CID 23437250) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
PubChem CID23437250
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
SMILESNc1ccc(O)c(CNc2ccc(N)cc2CCO)c1
InChIInChI=1S/C15H19N3O2/c16-12-1-3-14(10(7-12)5-6-19)18-9-11-8-13(17)2-4-15(11)20/h1-4,7-8,18-20H,5-6,9,16-17H2
InChIKeyALBHYFWHNUURES-UHFFFAOYSA-N
XLogP1.70
TPSA104.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
CID 22486457
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231
2-[4-amino-2-(hydroxymethyl)anilino]ethanol
CID 163969372
2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
CID 60874920
2-(2,5-diaminophenyl)ethanol
CID 160672831
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
2-[(5-amino-2-hydroxyphenyl)methylamino]-6-bromobenzonitrile
CID 114887473
2-[[4-amino-3-(2-hydroxyethyl)anilino]methyl]benzene-1,4-diol;hydrochloride
CID 23437239
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
2-(4-amino-2-ethylanilino)ethanol
CID 54391550
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125
4-amino-2-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 62960195

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol?
The IUPAC name of 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol (CID 23437250) is 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol is Nc1ccc(O)c(CNc2ccc(N)cc2CCO)c1.
What is the InChIKey of 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol?
The InChIKey is ALBHYFWHNUURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-1-3-14(10(7-12)5-6-19)18-9-11-8-13(17)2-4-15(11)20/h1-4,7-8,18-20H,5-6,9,16-17H2.
What are the key properties of 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol?
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol has a molecular weight of 273.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol is sourced from PubChem (CID 23437250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).