2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine

C16H17F3N2 — CID 79733087

IUPAC2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCCc1ccc(CC(NC)c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C16H17F3N2/c1-3-10-4-5-12(21-9-10)8-15(20-2)11-6-13(17)16(19)14(18)7-11/h4-7,9,15,20H,3,8H2,1-2H3
InChIKeyIQGWPYMGJMQZDQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.56
Rot. Bonds5

About 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine

2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 79733087) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID79733087
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCCc1ccc(CC(NC)c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C16H17F3N2/c1-3-10-4-5-12(21-9-10)8-15(20-2)11-6-13(17)16(19)14(18)7-11/h4-7,9,15,20H,3,8H2,1-2H3
InChIKeyIQGWPYMGJMQZDQ-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79732696
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79740670
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(3-fluorophenyl)ethanamine
CID 79745845
1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014462
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748456

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine (CID 79733087) is 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine is CCc1ccc(CC(NC)c2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is IQGWPYMGJMQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-10-4-5-12(21-9-10)8-15(20-2)11-6-13(17)16(19)14(18)7-11/h4-7,9,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 294.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 79733087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).