2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline

C14H11ClF3NO — CID 117220190

IUPAC2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(COc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-11-7-9(5-6-12(11)19)8-20-13-4-2-1-3-10(13)14(16,17)18/h1-7H,8,19H2
InChIKeyRPXSSPNYAANFJG-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.52
Rot. Bonds3

About 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline

2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline (PubChem CID 117220190) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
PubChem CID117220190
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(COc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3NO/c15-11-7-9(5-6-12(11)19)8-20-13-4-2-1-3-10(13)14(16,17)18/h1-7H,8,19H2
InChIKeyRPXSSPNYAANFJG-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline 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

4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220166
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
2-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The IUPAC name of 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline (CID 117220190) is 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline.
What is the SMILES notation for 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The canonical SMILES for 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline is Nc1ccc(COc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The InChIKey is RPXSSPNYAANFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-11-7-9(5-6-12(11)19)8-20-13-4-2-1-3-10(13)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline has a molecular weight of 301.70 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline is sourced from PubChem (CID 117220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).