1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol

C14H12Cl3NO2 — CID 62265767

IUPAC1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
SMILESNc1ccc(C(O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3NO2/c15-10-5-12(17)14(6-11(10)16)20-7-13(19)8-1-3-9(18)4-2-8/h1-6,13,19H,7,18H2
InChIKeyTZIVFYIUXJEFPW-UHFFFAOYSA-N
MW332.61 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol

1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol (PubChem CID 62265767) has the molecular formula C14H12Cl3NO2 and a molecular weight of 332.61 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
PubChem CID62265767
Molecular FormulaC14H12Cl3NO2
Molecular Weight332.61 g/mol
Exact Mass330.99
IUPAC Name1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
SMILESNc1ccc(C(O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3NO2/c15-10-5-12(17)14(6-11(10)16)20-7-13(19)8-1-3-9(18)4-2-8/h1-6,13,19H,7,18H2
InChIKeyTZIVFYIUXJEFPW-UHFFFAOYSA-N
XLogP4.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol 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

1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642
1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
CID 63877954
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
CID 112813692
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
CID 64601162
2-(4-aminophenoxy)-1-(2-chloro-4,5-dimethoxyphenyl)ethanol
CID 46307228
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
4-[2-(4-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670256
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
[(2S)-2-(4-aminophenyl)-2-hydroxyethyl] carbamate
CID 175494072
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol (CID 62265767) is 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol is Nc1ccc(C(O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol?
The InChIKey is TZIVFYIUXJEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2/c15-10-5-12(17)14(6-11(10)16)20-7-13(19)8-1-3-9(18)4-2-8/h1-6,13,19H,7,18H2.
What are the key properties of 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol?
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol has a molecular weight of 332.61 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol is sourced from PubChem (CID 62265767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).