2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

C15H14ClF3N2 — CID 105085844

IUPAC2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N2/c1-20-14(8-10-3-2-4-12(16)7-10)13-6-5-11(9-21-13)15(17,18)19/h2-7,9,14,20H,8H2,1H3
InChIKeyIUCKUPHEVOAFMP-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.26
Rot. Bonds4

About 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 105085844) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID105085844
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N2/c1-20-14(8-10-3-2-4-12(16)7-10)13-6-5-11(9-21-13)15(17,18)19/h2-7,9,14,20H,8H2,1H3
InChIKeyIUCKUPHEVOAFMP-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
2-(furan-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177292
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
[1-(5-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105251515
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 105085844) is 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is CNC(Cc1cccc(Cl)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is IUCKUPHEVOAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-20-14(8-10-3-2-4-12(16)7-10)13-6-5-11(9-21-13)15(17,18)19/h2-7,9,14,20H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 314.74 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 105085844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).