(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine

C13H16F3N3 — CID 104930325

IUPAC(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H16F3N3/c1-9(17)12-3-2-11(8-18-12)19-6-4-10(5-7-19)13(14,15)16/h2-4,8-9H,5-7,17H2,1H3/t9-/m0/s1
InChIKeyDTLNAIRNRDYJJU-VIFPVBQESA-N
MW271.29 g/mol
LogP2.80
Rot. Bonds2

About (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine

(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine (PubChem CID 104930325) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
PubChem CID104930325
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CC=C(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H16F3N3/c1-9(17)12-3-2-11(8-18-12)19-6-4-10(5-7-19)13(14,15)16/h2-4,8-9H,5-7,17H2,1H3/t9-/m0/s1
InChIKeyDTLNAIRNRDYJJU-VIFPVBQESA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Aminopyridine
CID 10009
2-Pyridinemethanamine
CID 19509
Betahistine Hydrochloride
CID 68643
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
N-Phenyl-2-pyridinemethanamine
CID 78027
Piperazine, 2-pyridylethyl-
CID 566605
2-(2-Anilinoethyl)pyridine
CID 236796
1-(Pyridin-3-yl)piperazine
CID 437234

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine (CID 104930325) is (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(N2CC=C(C(F)(F)F)CC2)cn1.
What is the InChIKey of (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine?
The InChIKey is DTLNAIRNRDYJJU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3N3/c1-9(17)12-3-2-11(8-18-12)19-6-4-10(5-7-19)13(14,15)16/h2-4,8-9H,5-7,17H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine?
(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine has a molecular weight of 271.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 104930325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).