N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline

C14H18F3NO — CID 43686729

IUPACN-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-13-8-6-12(7-9-13)18-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2
InChIKeyYXPBMFZIAPZUCU-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.37
Rot. Bonds4

About N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline

N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline (PubChem CID 43686729) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
PubChem CID43686729
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-13-8-6-12(7-9-13)18-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2
InChIKeyYXPBMFZIAPZUCU-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
N-[4-(2,2,2-trifluoroethoxy)phenyl]thiolan-3-amine
CID 43686705
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]thian-3-amine
CID 79957920
(3R)-3-[4-(2,2,2-trifluoroethoxy)anilino]azepan-2-one
CID 51982995
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
CID 141036211
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43781718

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline (CID 43686729) is N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccc(NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is YXPBMFZIAPZUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)10-19-13-8-6-12(7-9-13)18-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2.
What are the key properties of N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline?
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 273.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 43686729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).