2-(2,4-diaminophenoxy)ethanol;hydrochloride

C8H13ClN2O2 — CID 22321000

IUPAC2-(2,4-diaminophenoxy)ethanol;hydrochloride
SMILESCl.Nc1ccc(OCCO)c(N)c1
InChIInChI=1S/C8H12N2O2.ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;/h1-2,5,11H,3-4,9-10H2;1H
InChIKeyPBVFDMZFBPZIMC-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.64
Rot. Bonds3

About 2-(2,4-diaminophenoxy)ethanol;hydrochloride

2-(2,4-diaminophenoxy)ethanol;hydrochloride (PubChem CID 22321000) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(2,4-diaminophenoxy)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2,4-diaminophenoxy)ethanol;hydrochloride
PubChem CID22321000
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-(2,4-diaminophenoxy)ethanol;hydrochloride
SMILESCl.Nc1ccc(OCCO)c(N)c1
InChIInChI=1S/C8H12N2O2.ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;/h1-2,5,11H,3-4,9-10H2;1H
InChIKeyPBVFDMZFBPZIMC-UHFFFAOYSA-N
XLogP0.64
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminophenoxy)ethanol;hydrochloride?
The IUPAC name of 2-(2,4-diaminophenoxy)ethanol;hydrochloride (CID 22321000) is 2-(2,4-diaminophenoxy)ethanol;hydrochloride.
What is the SMILES notation for 2-(2,4-diaminophenoxy)ethanol;hydrochloride?
The canonical SMILES for 2-(2,4-diaminophenoxy)ethanol;hydrochloride is Cl.Nc1ccc(OCCO)c(N)c1.
What is the InChIKey of 2-(2,4-diaminophenoxy)ethanol;hydrochloride?
The InChIKey is PBVFDMZFBPZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;/h1-2,5,11H,3-4,9-10H2;1H.
What are the key properties of 2-(2,4-diaminophenoxy)ethanol;hydrochloride?
2-(2,4-diaminophenoxy)ethanol;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminophenoxy)ethanol;hydrochloride is sourced from PubChem (CID 22321000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).