[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C12H17F3N2O — CID 58873351

IUPAC[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)CCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H17F3N2O/c1-8(2)5-6-18-11-9(7-16)3-4-10(17-11)12(13,14)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyFVJOVCGPMGWHGU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds5

About [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873351) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873351
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)CCOc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H17F3N2O/c1-8(2)5-6-18-11-9(7-16)3-4-10(17-11)12(13,14)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyFVJOVCGPMGWHGU-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873351) is [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)CCOc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is FVJOVCGPMGWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)5-6-18-11-9(7-16)3-4-10(17-11)12(13,14)15/h3-4,8H,5-7,16H2,1-2H3.
What are the key properties of [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 262.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).