3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol

C15H19N3O3 — CID 69381115

IUPAC3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
SMILESNc1ccc(OCCO)c(NCc2c(N)cccc2O)c1
InChIInChI=1S/C15H19N3O3/c16-10-4-5-15(21-7-6-19)13(8-10)18-9-11-12(17)2-1-3-14(11)20/h1-5,8,18-20H,6-7,9,16-17H2
InChIKeyLVTCCBALJXDCCW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol

3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol (PubChem CID 69381115) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
PubChem CID69381115
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
SMILESNc1ccc(OCCO)c(NCc2c(N)cccc2O)c1
InChIInChI=1S/C15H19N3O3/c16-10-4-5-15(21-7-6-19)13(8-10)18-9-11-12(17)2-1-3-14(11)20/h1-5,8,18-20H,6-7,9,16-17H2
InChIKeyLVTCCBALJXDCCW-UHFFFAOYSA-N
XLogP1.54
TPSA113.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
3-amino-2-[(4-amino-2-chloroanilino)methyl]phenol
CID 69380420
2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026523
2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
CID 22245315
N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
CID 22026500
2-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol;hydrochloride
CID 22026554
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
CID 157050422
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;2-methylbenzene-1,3-diol
CID 70265789

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol?
The IUPAC name of 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol (CID 69381115) is 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol.
What is the SMILES notation for 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol?
The canonical SMILES for 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol is Nc1ccc(OCCO)c(NCc2c(N)cccc2O)c1.
What is the InChIKey of 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol?
The InChIKey is LVTCCBALJXDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-10-4-5-15(21-7-6-19)13(8-10)18-9-11-12(17)2-1-3-14(11)20/h1-5,8,18-20H,6-7,9,16-17H2.
What are the key properties of 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol?
3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol has a molecular weight of 289.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol is sourced from PubChem (CID 69381115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).