2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol

C15H13F3N2O4 — CID 14175427

IUPAC2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(OCCO)cc1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-6-13(14(9-10)20(22)23)19-11-2-4-12(5-3-11)24-8-7-21/h1-6,9,19,21H,7-8H2
InChIKeyJVTLNDOBMYKIBN-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.73
Rot. Bonds6

About 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol

2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol (PubChem CID 14175427) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol
PubChem CID14175427
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC Name2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(OCCO)cc1
InChIInChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-6-13(14(9-10)20(22)23)19-11-2-4-12(5-3-11)24-8-7-21/h1-6,9,19,21H,7-8H2
InChIKeyJVTLNDOBMYKIBN-UHFFFAOYSA-N
XLogP3.73
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]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

N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline
CID 2837993
N-[2-(2-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2900701
N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2901871
N-[2-(3-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2902105
2-nitro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 3262734
4-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
CID 46229619
Benzenamine, 2,4-dinitro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-6-(trifluoromethyl)-
CID 157311
1-[2-(2-Nitroanilino)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 178298126
1-(4-Nitrophenoxy)-3-[2-[2-(trifluoromethyl)anilino]ethylamino]propan-2-ol
CID 178303715
Benzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-3-nitro-
CID 3065108
N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 3340140
N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 3381994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol (CID 14175427) is 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol?
The InChIKey is JVTLNDOBMYKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c16-15(17,18)10-1-6-13(14(9-10)20(22)23)19-11-2-4-12(5-3-11)24-8-7-21/h1-6,9,19,21H,7-8H2.
What are the key properties of 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol?
2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol has a molecular weight of 342.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-nitro-4-(trifluoromethyl)anilino]phenoxy]ethanol is sourced from PubChem (CID 14175427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).