2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline

C14H17BrF3NO — CID 115511700

IUPAC2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOC2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrF3NO/c15-12-9-10(14(16,17)18)5-6-13(12)19-7-8-20-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2
InChIKeyLEHUJQXYGXHPLA-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.84
Rot. Bonds5

About 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline

2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline (PubChem CID 115511700) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
PubChem CID115511700
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOC2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrF3NO/c15-12-9-10(14(16,17)18)5-6-13(12)19-7-8-20-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2
InChIKeyLEHUJQXYGXHPLA-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-cyclopentyloxyethyl)-4-(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

2-bromo-N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511701
2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
CID 115511910
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 65484392
2-bromo-N-[2-(2-chloroethoxy)ethyl]-4-(trifluoromethyl)aniline
CID 115512285
5-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 107286281
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline (CID 115511700) is 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCOC2CCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline?
The InChIKey is LEHUJQXYGXHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c15-12-9-10(14(16,17)18)5-6-13(12)19-7-8-20-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2.
What are the key properties of 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline?
2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline has a molecular weight of 352.19 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115511700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).