azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride

C8H17Cl2N3O2 — CID 175517081

IUPACazane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
SMILESCl.Cl.N.Nc1ccc(OCCO)c(N)c1
InChIInChI=1S/C8H12N2O2.2ClH.H3N/c9-6-1-2-8(7(10)5-6)12-4-3-11;;;/h1-2,5,11H,3-4,9-10H2;2*1H;1H3
InChIKeyULFXDKHFYAIORA-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.23
Rot. Bonds3

About azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride

azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride (PubChem CID 175517081) has the molecular formula C8H17Cl2N3O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride.

Molecular Properties

Compound Nameazane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
PubChem CID175517081
Molecular FormulaC8H17Cl2N3O2
Molecular Weight258.15 g/mol
Exact Mass257.07
IUPAC Nameazane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
SMILESCl.Cl.N.Nc1ccc(OCCO)c(N)c1
InChIInChI=1S/C8H12N2O2.2ClH.H3N/c9-6-1-2-8(7(10)5-6)12-4-3-11;;;/h1-2,5,11H,3-4,9-10H2;2*1H;1H3
InChIKeyULFXDKHFYAIORA-UHFFFAOYSA-N
XLogP1.23
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
4-propoxybenzene-1,3-diamine
CID 69462115
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088
2-(2,4-diaminophenoxy)ethanesulfonic acid
CID 88685601
2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
CID 20510277
3-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]propan-1-ol
CID 143578451
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;2-methylbenzene-1,3-diol
CID 70265789
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
CID 66510838
2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518

Frequently Asked Questions

What is the IUPAC name of azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride?
The IUPAC name of azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride (CID 175517081) is azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride.
What is the SMILES notation for azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride?
The canonical SMILES for azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride is Cl.Cl.N.Nc1ccc(OCCO)c(N)c1.
What is the InChIKey of azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride?
The InChIKey is ULFXDKHFYAIORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2ClH.H3N/c9-6-1-2-8(7(10)5-6)12-4-3-11;;;/h1-2,5,11H,3-4,9-10H2;2*1H;1H3.
What are the key properties of azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride?
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride has a molecular weight of 258.15 g/mol, XLogP of 1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride is sourced from PubChem (CID 175517081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).