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

C19H20F3NO — CID 721785

IUPAC2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)15-8-11-18(17(23)12-15)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13H,1-5,23H2
InChIKeyWATMWUPUTYBRFA-UHFFFAOYSA-N
MW335.37 g/mol
LogP6.13
Rot. Bonds3

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

2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 721785) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline
PubChem CID721785
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)15-8-11-18(17(23)12-15)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13H,1-5,23H2
InChIKeyWATMWUPUTYBRFA-UHFFFAOYSA-N
XLogP6.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 56.13
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

Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
2-(o-Tolyloxy)aniline
CID 19692
2-Benzyloxyaniline
CID 240548
2-(2-Methoxyethoxy)-5-(trifluoromethyl)aniline
CID 2392234
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735929
2-(3-Methylphenoxy)aniline
CID 2060829
2-Methoxy-5-(trifluoromethyl)aniline
CID 600637
2-(4-Chlorophenoxy)-5-(trifluoromethyl)aniline
CID 67677
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772
2-(2-Naphthyloxy)aniline
CID 2302295
5-[1-(3-Ethoxy-4-methoxy-phenyl)-vinyl]-2-methoxy-phenylamine
CID 11594581

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline (CID 721785) is 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is WATMWUPUTYBRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)15-8-11-18(17(23)12-15)24-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13H,1-5,23H2.
What are the key properties of 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline?
2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 335.37 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 721785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).