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

C15H19N3O2 — CID 154240692

IUPAC3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol
SMILESNc1cccc(-c2cc(N)cc(N)c2CC(O)CO)c1
InChIInChI=1S/C15H19N3O2/c16-10-3-1-2-9(4-10)13-5-11(17)6-15(18)14(13)7-12(20)8-19/h1-6,12,19-20H,7-8,16-18H2
InChIKeyHOONOCQELZDNLD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.00
Rot. Bonds4

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

3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol (PubChem CID 154240692) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol
PubChem CID154240692
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol
SMILESNc1cccc(-c2cc(N)cc(N)c2CC(O)CO)c1
InChIInChI=1S/C15H19N3O2/c16-10-3-1-2-9(4-10)13-5-11(17)6-15(18)14(13)7-12(20)8-19/h1-6,12,19-20H,7-8,16-18H2
InChIKeyHOONOCQELZDNLD-UHFFFAOYSA-N
XLogP1.00
TPSA118.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,4-diamino-6-(3,5-diaminophenyl)phenyl]propane-1,2-diol
CID 154276954
3-[2,4-diamino-6-(4-ethenylphenyl)phenyl]propane-1,2-diol
CID 154245812
3-(2,4-diamino-6-thiophen-3-ylphenyl)propane-1,2-diol
CID 154493893
[4-amino-2-(3-aminophenyl)phenyl]methanol
CID 68788430
3-[4-amino-2-(3-fluorophenyl)anilino]propane-1,2-diol
CID 18371387
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-[3-(3-aminophenyl)-1,2,4-triazol-1-yl]propane-1,2-diol
CID 113384263
3-[4-amino-2-(2,4-diaminophenyl)anilino]propane-1,2-diol
CID 18371380
3-[4-amino-2-(furan-2-yl)-6-(methylamino)phenyl]propane-1,2-diol
CID 70192819
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-(3-aminophenyl)aniline;sulfane
CID 175159845
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol (CID 154240692) is 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol is Nc1cccc(-c2cc(N)cc(N)c2CC(O)CO)c1.
What is the InChIKey of 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol?
The InChIKey is HOONOCQELZDNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-3-1-2-9(4-10)13-5-11(17)6-15(18)14(13)7-12(20)8-19/h1-6,12,19-20H,7-8,16-18H2.
What are the key properties of 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol?
3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol has a molecular weight of 273.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-diamino-6-(3-aminophenyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 154240692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).