N-(5-chloropentyl)-2-(trifluoromethyl)aniline

C12H15ClF3N — CID 107320506

IUPACN-(5-chloropentyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCCCl
InChIInChI=1S/C12H15ClF3N/c13-8-4-1-5-9-17-11-7-3-2-6-10(11)12(14,15)16/h2-3,6-7,17H,1,4-5,8-9H2
InChIKeyVKLYAZQFHRFNST-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.53
Rot. Bonds6

About N-(5-chloropentyl)-2-(trifluoromethyl)aniline

N-(5-chloropentyl)-2-(trifluoromethyl)aniline (PubChem CID 107320506) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-(trifluoromethyl)aniline
PubChem CID107320506
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC NameN-(5-chloropentyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCCCl
InChIInChI=1S/C12H15ClF3N/c13-8-4-1-5-9-17-11-7-3-2-6-10(11)12(14,15)16/h2-3,6-7,17H,1,4-5,8-9H2
InChIKeyVKLYAZQFHRFNST-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-chloropentyl)-2-(trifluoromethyl)aniline 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

N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-methylhexyl)-2-(trifluoromethyl)aniline
CID 115326059
N-(5-chloro-2,2-dimethylpentyl)-2-(trifluoromethyl)aniline
CID 114149158
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600
1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 174529363
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)aniline
CID 64532428
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
5-chloropentyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970739
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(5-chloropentyl)-2-(trifluoromethyl)aniline (CID 107320506) is N-(5-chloropentyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(5-chloropentyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(5-chloropentyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-(trifluoromethyl)aniline?
The InChIKey is VKLYAZQFHRFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c13-8-4-1-5-9-17-11-7-3-2-6-10(11)12(14,15)16/h2-3,6-7,17H,1,4-5,8-9H2.
What are the key properties of N-(5-chloropentyl)-2-(trifluoromethyl)aniline?
N-(5-chloropentyl)-2-(trifluoromethyl)aniline has a molecular weight of 265.71 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107320506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).