3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol

C15H19N3O3 — CID 18371761

IUPAC3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol
SMILESNc1ccc(O)c(-c2cc(NCC(O)CO)ccc2N)c1
InChIInChI=1S/C15H19N3O3/c16-9-1-4-15(21)13(5-9)12-6-10(2-3-14(12)17)18-7-11(20)8-19/h1-6,11,18-21H,7-8,16-17H2
InChIKeyGAFSHUNDZJARHH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.99
Rot. Bonds5

About 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol

3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol (PubChem CID 18371761) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol
PubChem CID18371761
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol
SMILESNc1ccc(O)c(-c2cc(NCC(O)CO)ccc2N)c1
InChIInChI=1S/C15H19N3O3/c16-9-1-4-15(21)13(5-9)12-6-10(2-3-14(12)17)18-7-11(20)8-19/h1-6,11,18-21H,7-8,16-17H2
InChIKeyGAFSHUNDZJARHH-UHFFFAOYSA-N
XLogP0.99
TPSA124.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.34
LogP ≤ 50.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-2-(2,4-diaminophenyl)anilino]propane-1,2-diol
CID 18371380
3-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
3-[4-amino-2-(1H-pyrrol-3-yl)anilino]propane-1,2-diol
CID 23286915
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-[4-amino-2-(3-fluorophenyl)anilino]propane-1,2-diol
CID 18371387
3-[4-amino-2-(3,5-dimethoxyphenyl)anilino]propane-1,2-diol
CID 18371616
3-(4-amino-2-thiophen-2-ylanilino)propane-1,2-diol;dihydrochloride
CID 18799049
5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
CID 168596347

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol (CID 18371761) is 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol is Nc1ccc(O)c(-c2cc(NCC(O)CO)ccc2N)c1.
What is the InChIKey of 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol?
The InChIKey is GAFSHUNDZJARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-9-1-4-15(21)13(5-9)12-6-10(2-3-14(12)17)18-7-11(20)8-19/h1-6,11,18-21H,7-8,16-17H2.
What are the key properties of 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol?
3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol has a molecular weight of 289.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(5-amino-2-hydroxyphenyl)anilino]propane-1,2-diol is sourced from PubChem (CID 18371761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).