2-(4-methylphenoxy)-5-(trifluoromethyl)aniline

C14H12F3NO — CID 4189535

IUPAC2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyFFVRPABHQMXFCC-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.39
Rot. Bonds2

About 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline

2-(4-methylphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 4189535) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
PubChem CID4189535
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C14H12F3NO/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChIKeyFFVRPABHQMXFCC-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.39
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-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
CID 167728223
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 66487930
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline (CID 4189535) is 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline is Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is FFVRPABHQMXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-2-5-11(6-3-9)19-13-7-4-10(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline?
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 267.25 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 4189535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).