4-(4-Trifluoromethyl-benzyloxy)-phenylamine

HCID 22137889

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIKey: DEXWLMMROPAVAX-UHFFFAOYSA-N
Molecular formula: C14H12F3NO
Average molar mass: 267.25 g/mol

Names & identifiers

Preferred name: 4-(4-Trifluoromethyl-benzyloxy)-phenylamine
IUPAC: 4-[[4-(trifluoromethyl)phenyl]methoxy]aniline

Names & synonyms

4-(4-trifluoromethyl-benzyloxy)-phenylamineCHEMBL4204803SCHEMBL4339843CHEMBL4300922BDBM50452643AKOS006042264

Database identifiers

PubChem CID: 22137889
ChEMBL: CHEMBL4204803、CHEMBL4300922

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 266

Related reactions

9 records

New reaction record

HRID 826885As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 855991As productuspto-grants-2007_08

HRID 1549052As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1550591As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1768142As reactantuspto-grants-2007_06

HRID 1827378As productuspto-grants-2006_05

HRID 1827379As reactantuspto-grants-2006_05

HRID 1884104As productuspto-grants-2004_07

Compound notes

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