2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol

C16H22N4O2 — CID 18371790

IUPAC2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2
InChIKeyRCDNXIUJAKSRIM-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.89
Rot. Bonds6

About 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 18371790) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID18371790
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2
InChIKeyRCDNXIUJAKSRIM-UHFFFAOYSA-N
XLogP0.89
TPSA121.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol (CID 18371790) is 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol is Nc1ccc(N)c(-c2cc(N(CCO)CCO)ccc2N)c1.
What is the InChIKey of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is RCDNXIUJAKSRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-11-1-3-15(18)13(9-11)14-10-12(2-4-16(14)19)20(5-7-21)6-8-22/h1-4,9-10,21-22H,5-8,17-19H2.
What are the key properties of 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 302.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2,5-diaminophenyl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 18371790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).