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

C14H12F3NO — CID 18616432

IUPAC3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
SMILESCc1cc(N)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-9-8-10(18)6-7-12(9)19-13-5-3-2-4-11(13)14(15,16)17/h2-8H,18H2,1H3
InChIKeyOCKJODKZFFEPQZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.39
Rot. Bonds2

About 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline

3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline (PubChem CID 18616432) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
PubChem CID18616432
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
SMILESCc1cc(N)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-9-8-10(18)6-7-12(9)19-13-5-3-2-4-11(13)14(15,16)17/h2-8H,18H2,1H3
InChIKeyOCKJODKZFFEPQZ-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

3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
CID 63735664
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2-diphenylphosphorylphenoxy]-3-methylaniline
CID 20750532
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
CID 141306794
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43165621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline (CID 18616432) is 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline is Cc1cc(N)ccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline?
The InChIKey is OCKJODKZFFEPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-8-10(18)6-7-12(9)19-13-5-3-2-4-11(13)14(15,16)17/h2-8H,18H2,1H3.
What are the key properties of 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline?
3-methyl-4-[2-(trifluoromethyl)phenoxy]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 3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 18616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).