2-cyclohexyloxy-4-(trifluoromethyl)aniline

C13H16F3NO — CID 162679508

IUPAC2-cyclohexyloxy-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1OC1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-6-7-11(17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10H,1-5,17H2
InChIKeyAVLTYJVNHKVDQW-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.00
Rot. Bonds2

About 2-cyclohexyloxy-4-(trifluoromethyl)aniline

2-cyclohexyloxy-4-(trifluoromethyl)aniline (PubChem CID 162679508) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-cyclohexyloxy-4-(trifluoromethyl)aniline
PubChem CID162679508
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-cyclohexyloxy-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1OC1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-6-7-11(17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10H,1-5,17H2
InChIKeyAVLTYJVNHKVDQW-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.00
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-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline
CID 114340421
2-(azepan-4-yloxy)-5-(trifluoromethyl)aniline
CID 117095757
2-(oxan-4-yloxy)-5-(trifluoromethyl)aniline
CID 61269565
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline
CID 43098974
2-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
CID 19627084
2-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
CID 105486416
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
4-amino-3-cyclobutyloxybenzonitrile
CID 112623559
2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
CID 169186429
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-(trifluoromethyl)aniline?
The IUPAC name of 2-cyclohexyloxy-4-(trifluoromethyl)aniline (CID 162679508) is 2-cyclohexyloxy-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-cyclohexyloxy-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-cyclohexyloxy-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-4-(trifluoromethyl)aniline?
The InChIKey is AVLTYJVNHKVDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-6-7-11(17)12(8-9)18-10-4-2-1-3-5-10/h6-8,10H,1-5,17H2.
What are the key properties of 2-cyclohexyloxy-4-(trifluoromethyl)aniline?
2-cyclohexyloxy-4-(trifluoromethyl)aniline has a molecular weight of 259.27 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-(trifluoromethyl)aniline is sourced from PubChem (CID 162679508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).