N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline

C14H18F3N — CID 55193341

IUPACN-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C14H18F3N/c1-9(10-5-3-2-4-6-10)18-13-8-11(15)7-12(16)14(13)17/h7-10,18H,2-6H2,1H3
InChIKeyXNIWGMSTWCNLNC-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.48
Rot. Bonds3

About N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline

N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline (PubChem CID 55193341) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
PubChem CID55193341
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(1-cyclohexylethyl)-2,3,5-trifluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1F)C1CCCCC1
InChIInChI=1S/C14H18F3N/c1-9(10-5-3-2-4-6-10)18-13-8-11(15)7-12(16)14(13)17/h7-10,18H,2-6H2,1H3
InChIKeyXNIWGMSTWCNLNC-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
N-(1-cyclohexylethyl)-3,5-difluoropyridin-2-amine
CID 112675822
2,4,5-trichloro-N-(1-cyclohexylethyl)aniline
CID 63419239
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
4-(1-cyclohexylethylamino)-2,3-difluorobenzoic acid
CID 79837521
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline?
The IUPAC name of N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline (CID 55193341) is N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline is CC(Nc1cc(F)cc(F)c1F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline?
The InChIKey is XNIWGMSTWCNLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9(10-5-3-2-4-6-10)18-13-8-11(15)7-12(16)14(13)17/h7-10,18H,2-6H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline?
N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline has a molecular weight of 257.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2,3,5-trifluoroaniline is sourced from PubChem (CID 55193341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).