4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine

C13H16N4O2 — CID 15801088

IUPAC4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCOc2ccc(N)cc2N)c(N)c1
InChIInChI=1S/C13H16N4O2/c14-8-1-3-12(10(16)5-8)18-7-19-13-4-2-9(15)6-11(13)17/h1-6H,7,14-17H2
InChIKeyBGGGDHXHMQFBGA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.43
Rot. Bonds4

About 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine

4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine (PubChem CID 15801088) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
PubChem CID15801088
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCOc2ccc(N)cc2N)c(N)c1
InChIInChI=1S/C13H16N4O2/c14-8-1-3-12(10(16)5-8)18-7-19-13-4-2-9(15)6-11(13)17/h1-6H,7,14-17H2
InChIKeyBGGGDHXHMQFBGA-UHFFFAOYSA-N
XLogP1.43
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
1-amino-3-(2,4-diaminophenoxy)propan-2-ol
CID 19835524
2-(2,4-diaminophenoxy)ethanesulfonic acid
CID 88685601
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
CID 20510277
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;2-methylbenzene-1,3-diol
CID 70265789
4-[6-(2,4-diaminophenoxy)-5-methylhexoxy]benzene-1,3-diamine
CID 20551659
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine?
The IUPAC name of 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine (CID 15801088) is 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine is Nc1ccc(OCOc2ccc(N)cc2N)c(N)c1.
What is the InChIKey of 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine?
The InChIKey is BGGGDHXHMQFBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-1-3-12(10(16)5-8)18-7-19-13-4-2-9(15)6-11(13)17/h1-6H,7,14-17H2.
What are the key properties of 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine?
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine is sourced from PubChem (CID 15801088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).