[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine

C11H15F3N2O — CID 113326257

IUPAC[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OCCCC(F)(F)F)c(CN)n1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(9(7-15)16-8)17-6-2-5-11(12,13)14/h3-4H,2,5-7,15H2,1H3
InChIKeyTUAKMGZDNPCAAK-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.57
Rot. Bonds5

About [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine

[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine (PubChem CID 113326257) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
PubChem CID113326257
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(OCCCC(F)(F)F)c(CN)n1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(9(7-15)16-8)17-6-2-5-11(12,13)14/h3-4H,2,5-7,15H2,1H3
InChIKeyTUAKMGZDNPCAAK-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [6-methyl-3-(4,4,4-trifluorobutoxy)-2-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

Related Compounds

2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 115513270
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788708
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150713
[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105444009
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79151556
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine (CID 113326257) is [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine is Cc1ccc(OCCCC(F)(F)F)c(CN)n1.
What is the InChIKey of [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine?
The InChIKey is TUAKMGZDNPCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-3-4-10(9(7-15)16-8)17-6-2-5-11(12,13)14/h3-4H,2,5-7,15H2,1H3.
What are the key properties of [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine?
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine has a molecular weight of 248.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 113326257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).