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

C14H18F3N — CID 64750651

IUPACN-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
SMILESCC1CC(C)CC(Nc2cc(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F3N/c1-8-3-9(2)5-11(4-8)18-13-7-10(15)6-12(16)14(13)17/h6-9,11,18H,3-5H2,1-2H3
InChIKeyGIPASWFXRFSRAE-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.34
Rot. Bonds2

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

N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline (PubChem CID 64750651) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
PubChem CID64750651
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline
SMILESCC1CC(C)CC(Nc2cc(F)cc(F)c2F)C1
InChIInChI=1S/C14H18F3N/c1-8-3-9(2)5-11(4-8)18-13-7-10(15)6-12(16)14(13)17/h6-9,11,18H,3-5H2,1-2H3
InChIKeyGIPASWFXRFSRAE-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'}

Analyze N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trifluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63478916
N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643599
1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
CID 81465856
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 64722393
2,3,5-trifluoro-N-(3-phenylcyclobutyl)aniline
CID 62810502
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 63478572
N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
CID 55193534
2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
N-(3,3-dimethylcyclopentyl)-2,3,5-trifluoroaniline
CID 80705583
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline (CID 64750651) is N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline is CC1CC(C)CC(Nc2cc(F)cc(F)c2F)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline?
The InChIKey is GIPASWFXRFSRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8-3-9(2)5-11(4-8)18-13-7-10(15)6-12(16)14(13)17/h6-9,11,18H,3-5H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline?
N-(3,5-dimethylcyclohexyl)-2,3,5-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-(3,5-dimethylcyclohexyl)-2,3,5-trifluoroaniline is sourced from PubChem (CID 64750651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).