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

C10H13F3N2 — CID 105022970

IUPACN-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(c1cncc(C)c1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-3-15-9(10(11,12)13)8-4-7(2)5-14-6-8/h4-6,9,15H,3H2,1-2H3
InChIKeyJCUSJTMKJPRKQO-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.60
Rot. Bonds3

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

N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 105022970) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID105022970
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(c1cncc(C)c1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-3-15-9(10(11,12)13)8-4-7(2)5-14-6-8/h4-6,9,15H,3H2,1-2H3
InChIKeyJCUSJTMKJPRKQO-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173991
2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116761495
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
CID 115374759
N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374920
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine (CID 105022970) is N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine is CCNC(c1cncc(C)c1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is JCUSJTMKJPRKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-3-15-9(10(11,12)13)8-4-7(2)5-14-6-8/h4-6,9,15H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 218.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105022970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).