4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride

C9H16Cl2N2O2 — CID 71587489

IUPAC4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride
SMILESCl.Cl.Nc1ccc(O)c(CNCCO)c1
InChIInChI=1S/C9H14N2O2.2ClH/c10-8-1-2-9(13)7(5-8)6-11-3-4-12;;/h1-2,5,11-13H,3-4,6,10H2;2*1H
InChIKeyAKLWCTDZGBBKNR-UHFFFAOYSA-N
MW255.14 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride

4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride (PubChem CID 71587489) has the molecular formula C9H16Cl2N2O2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride
PubChem CID71587489
Molecular FormulaC9H16Cl2N2O2
Molecular Weight255.14 g/mol
Exact Mass254.06
IUPAC Name4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride
SMILESCl.Cl.Nc1ccc(O)c(CNCCO)c1
InChIInChI=1S/C9H14N2O2.2ClH/c10-8-1-2-9(13)7(5-8)6-11-3-4-12;;/h1-2,5,11-13H,3-4,6,10H2;2*1H
InChIKeyAKLWCTDZGBBKNR-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride?
The IUPAC name of 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride (CID 71587489) is 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride.
What is the SMILES notation for 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride?
The canonical SMILES for 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride is Cl.Cl.Nc1ccc(O)c(CNCCO)c1.
What is the InChIKey of 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride?
The InChIKey is AKLWCTDZGBBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.2ClH/c10-8-1-2-9(13)7(5-8)6-11-3-4-12;;/h1-2,5,11-13H,3-4,6,10H2;2*1H.
What are the key properties of 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride?
4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride has a molecular weight of 255.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-hydroxyethylamino)methyl]phenol;dihydrochloride is sourced from PubChem (CID 71587489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).