2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline

C14H11ClF3NO — CID 115555282

IUPAC2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c1-8-6-12(19)11(15)7-13(8)20-10-4-2-9(3-5-10)14(16,17)18/h2-7H,19H2,1H3
InChIKeyLNUXXEOIOPNYLT-UHFFFAOYSA-N
MW301.70 g/mol
LogP5.04
Rot. Bonds2

About 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline

2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline (PubChem CID 115555282) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
PubChem CID115555282
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c1-8-6-12(19)11(15)7-13(8)20-10-4-2-9(3-5-10)14(16,17)18/h2-7H,19H2,1H3
InChIKeyLNUXXEOIOPNYLT-UHFFFAOYSA-N
XLogP5.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.70
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]propan-2-yl]-2-chlorophenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]aniline
CID 160545682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline (CID 115555282) is 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline is Cc1cc(N)c(Cl)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline?
The InChIKey is LNUXXEOIOPNYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-8-6-12(19)11(15)7-13(8)20-10-4-2-9(3-5-10)14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline?
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline has a molecular weight of 301.70 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 115555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).