2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride

C15H24Cl4N4O3 — CID 20510277

IUPAC2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(OCC(CO)Oc2ccc(N)cc2N)c(N)c1
InChIInChI=1S/C15H20N4O3.4ClH/c16-9-1-3-14(12(18)5-9)21-8-11(7-20)22-15-4-2-10(17)6-13(15)19;;;;/h1-6,11,20H,7-8,16-19H2;4*1H
InChIKeyDRHXDAKGNOUNPH-UHFFFAOYSA-N
MW450.19 g/mol
LogP2.52
Rot. Bonds6

About 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride

2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride (PubChem CID 20510277) has the molecular formula C15H24Cl4N4O3 and a molecular weight of 450.19 g/mol. Its IUPAC name is 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride.

Molecular Properties

Compound Name2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
PubChem CID20510277
Molecular FormulaC15H24Cl4N4O3
Molecular Weight450.19 g/mol
Exact Mass448.06
IUPAC Name2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ccc(OCC(CO)Oc2ccc(N)cc2N)c(N)c1
InChIInChI=1S/C15H20N4O3.4ClH/c16-9-1-3-14(12(18)5-9)21-8-11(7-20)22-15-4-2-10(17)6-13(15)19;;;;/h1-6,11,20H,7-8,16-19H2;4*1H
InChIKeyDRHXDAKGNOUNPH-UHFFFAOYSA-N
XLogP2.52
TPSA142.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.19
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
1-amino-3-(2,4-diaminophenoxy)propan-2-ol
CID 19835524
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088
bis(1-(2,4-diaminophenoxy)ethanol);trihydrochloride
CID 68566061
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium bromide
CID 141054164
[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium chloride
CID 141054171
4-[6-(2,4-diaminophenoxy)-5-methylhexoxy]benzene-1,3-diamine
CID 20551659
4-propoxybenzene-1,3-diamine
CID 69462115
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride?
The IUPAC name of 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride (CID 20510277) is 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride.
What is the SMILES notation for 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride?
The canonical SMILES for 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride is Cl.Cl.Cl.Cl.Nc1ccc(OCC(CO)Oc2ccc(N)cc2N)c(N)c1.
What is the InChIKey of 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride?
The InChIKey is DRHXDAKGNOUNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.4ClH/c16-9-1-3-14(12(18)5-9)21-8-11(7-20)22-15-4-2-10(17)6-13(15)19;;;;/h1-6,11,20H,7-8,16-19H2;4*1H.
What are the key properties of 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride?
2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride has a molecular weight of 450.19 g/mol, XLogP of 2.52, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride is sourced from PubChem (CID 20510277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).