2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

C16H23F3N2O — CID 169489195

IUPAC2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)cc1N1CCCCC1
InChIInChI=1S/C16H23F3N2O/c1-22-10-7-20-12-13-5-6-14(16(17,18)19)11-15(13)21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12H2,1H3
InChIKeyQFVGYSOECDIYIG-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.43
Rot. Bonds6

About 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 169489195) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID169489195
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)cc1N1CCCCC1
InChIInChI=1S/C16H23F3N2O/c1-22-10-7-20-12-13-5-6-14(16(17,18)19)11-15(13)21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12H2,1H3
InChIKeyQFVGYSOECDIYIG-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine 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-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489196
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
N-[[4-bromo-2-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059908
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63072055
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
CID 114847553
N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63070734
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 169489195) is 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is COCCNCc1ccc(C(F)(F)F)cc1N1CCCCC1.
What is the InChIKey of 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is QFVGYSOECDIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-22-10-7-20-12-13-5-6-14(16(17,18)19)11-15(13)21-8-3-2-4-9-21/h5-6,11,20H,2-4,7-10,12H2,1H3.
What are the key properties of 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 316.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 169489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).