5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline

C14H11ClF3NO — CID 171916719

IUPAC5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)c(Cl)cc1N
InChIInChI=1S/C14H11ClF3NO/c1-8-6-11(12(15)7-13(8)19)9-2-4-10(5-3-9)20-14(16,17)18/h2-7H,19H2,1H3
InChIKeySUEPMATUHJSURK-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.80
Rot. Bonds2

About 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline

5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 171916719) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID171916719
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)c(Cl)cc1N
InChIInChI=1S/C14H11ClF3NO/c1-8-6-11(12(15)7-13(8)19)9-2-4-10(5-3-9)20-14(16,17)18/h2-7H,19H2,1H3
InChIKeySUEPMATUHJSURK-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.80
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

4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 164895087
4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]aniline
CID 119006097
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline (CID 171916719) is 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline is Cc1cc(-c2ccc(OC(F)(F)F)cc2)c(Cl)cc1N.
What is the InChIKey of 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is SUEPMATUHJSURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-8-6-11(12(15)7-13(8)19)9-2-4-10(5-3-9)20-14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline?
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 301.70 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 171916719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).