3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol

C15H20N4O2 — CID 154276954

IUPAC3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol
SMILESNc1cc(N)cc(-c2cc(N)cc(N)c2CC(O)CO)c1
InChIInChI=1S/C15H20N4O2/c16-9-1-8(2-10(17)3-9)13-4-11(18)5-15(19)14(13)6-12(21)7-20/h1-5,12,20-21H,6-7,16-19H2
InChIKeyUKNMNPDLCAUAGH-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.58
Rot. Bonds4

About 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol

3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol (PubChem CID 154276954) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol
PubChem CID154276954
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol
SMILESNc1cc(N)cc(-c2cc(N)cc(N)c2CC(O)CO)c1
InChIInChI=1S/C15H20N4O2/c16-9-1-8(2-10(17)3-9)13-4-11(18)5-15(19)14(13)6-12(21)7-20/h1-5,12,20-21H,6-7,16-19H2
InChIKeyUKNMNPDLCAUAGH-UHFFFAOYSA-N
XLogP0.58
TPSA144.54 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 50.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol (CID 154276954) is 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol is Nc1cc(N)cc(-c2cc(N)cc(N)c2CC(O)CO)c1.
What is the InChIKey of 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol?
The InChIKey is UKNMNPDLCAUAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-9-1-8(2-10(17)3-9)13-4-11(18)5-15(19)14(13)6-12(21)7-20/h1-5,12,20-21H,6-7,16-19H2.
What are the key properties of 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol?
3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol has a molecular weight of 288.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 154276954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).