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

C14H18F3N — CID 64760115

IUPACN-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
SMILESCC1CCCC(Nc2cc(F)c(F)cc2F)C1C
InChIInChI=1S/C14H18F3N/c1-8-4-3-5-13(9(8)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5H2,1-2H3
InChIKeyXQILOGYXQAFOMA-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.34
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline (PubChem CID 64760115) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
PubChem CID64760115
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
SMILESCC1CCCC(Nc2cc(F)c(F)cc2F)C1C
InChIInChI=1S/C14H18F3N/c1-8-4-3-5-13(9(8)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5H2,1-2H3
InChIKeyXQILOGYXQAFOMA-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.34
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

5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
4-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 63510522
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
CID 54902981
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
2,4-difluoro-5-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043851
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline (CID 64760115) is N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline is CC1CCCC(Nc2cc(F)c(F)cc2F)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline?
The InChIKey is XQILOGYXQAFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8-4-3-5-13(9(8)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline?
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline has a molecular weight of 257.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline is sourced from PubChem (CID 64760115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).