N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

C11H19F3N2O — CID 114490234

IUPACN-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCCNCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-17-9-5-15-4-8-16-6-2-10(3-7-16)11(12,13)14/h2,15H,3-9H2,1H3
InChIKeyJSVSWTNNNLSJQV-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.42
Rot. Bonds6

About N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine

N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114490234) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114490234
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCCNCCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-17-9-5-15-4-8-16-6-2-10(3-7-16)11(12,13)14/h2,15H,3-9H2,1H3
InChIKeyJSVSWTNNNLSJQV-UHFFFAOYSA-N
XLogP1.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607147
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 80605900
1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102657076
2-methoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152791
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227351
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227352
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227353
N-ethyl-3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227354
3-methoxy-N-propan-2-yl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227355
3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227356
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114490234) is N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is COCCNCCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is JSVSWTNNNLSJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-17-9-5-15-4-8-16-6-2-10(3-7-16)11(12,13)14/h2,15H,3-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 252.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114490234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).