N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline

C14H18F3N — CID 55193534

IUPACN-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
SMILESCCC1CCC(Nc2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C14H18F3N/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h7-9,11,18H,2-6H2,1H3
InChIKeySZVJSOLPZFNWDX-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.48
Rot. Bonds3

About N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline

N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline (PubChem CID 55193534) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
PubChem CID55193534
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
SMILESCCC1CCC(Nc2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C14H18F3N/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h7-9,11,18H,2-6H2,1H3
InChIKeySZVJSOLPZFNWDX-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-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
CID 64750651
3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
N-(4-ethylcyclohexyl)-2,3,4,5,6-pentafluoroaniline
CID 63540552
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490
1-N-(3-ethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507062
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
CID 81465856

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline?
The IUPAC name of N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline (CID 55193534) is N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline is CCC1CCC(Nc2cc(F)cc(F)c2F)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline?
The InChIKey is SZVJSOLPZFNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h7-9,11,18H,2-6H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline?
N-(4-ethylcyclohexyl)-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-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline is sourced from PubChem (CID 55193534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).