[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine

C13H16BrF3N2O — CID 106796845

IUPAC[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2O/c14-10-4-11(13(15,16)17)12(19-6-10)20-7-9-3-1-2-8(9)5-18/h4,6,8-9H,1-3,5,7,18H2
InChIKeyZAYTWNVBFIGAHX-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.62
Rot. Bonds4

About [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine

[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine (PubChem CID 106796845) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
PubChem CID106796845
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
SMILESNCC1CCCC1COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H16BrF3N2O/c14-10-4-11(13(15,16)17)12(19-6-10)20-7-9-3-1-2-8(9)5-18/h4,6,8-9H,1-3,5,7,18H2
InChIKeyZAYTWNVBFIGAHX-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine 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-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine
CID 104606585
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
CID 134489175
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009

Frequently Asked Questions

What is the IUPAC name of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine (CID 106796845) is [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine is NCC1CCCC1COc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine?
The InChIKey is ZAYTWNVBFIGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c14-10-4-11(13(15,16)17)12(19-6-10)20-7-9-3-1-2-8(9)5-18/h4,6,8-9H,1-3,5,7,18H2.
What are the key properties of [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine?
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine has a molecular weight of 353.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 106796845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).