2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine

C14H12ClF3N2 — CID 63196526

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
SMILESNC(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c15-11-6-10(14(16,17)18)8-20-13(11)7-12(19)9-4-2-1-3-5-9/h1-6,8,12H,7,19H2
InChIKeyXKNCDAOFGHIIKW-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.00
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine (PubChem CID 63196526) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
PubChem CID63196526
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
SMILESNC(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c15-11-6-10(14(16,17)18)8-20-13(11)7-12(19)9-4-2-1-3-5-9/h1-6,8,12H,7,19H2
InChIKeyXKNCDAOFGHIIKW-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(methylamino)-3-oxopropoxy]benzamide
CID 87526451
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
CID 63205098
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide
CID 87950496
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
CID 150376040
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine (CID 63196526) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine is NC(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine?
The InChIKey is XKNCDAOFGHIIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c15-11-6-10(14(16,17)18)8-20-13(11)7-12(19)9-4-2-1-3-5-9/h1-6,8,12H,7,19H2.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine has a molecular weight of 300.71 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine is sourced from PubChem (CID 63196526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).