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

C13H16F3N3 — CID 104930323

IUPAC(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(N2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H16F3N3/c1-9(17)10-2-5-18-12(8-10)19-6-3-11(4-7-19)13(14,15)16/h2-3,5,8-9H,4,6-7,17H2,1H3/t9-/m1/s1
InChIKeyJFKUYTRUVFJACB-SECBINFHSA-N
MW271.29 g/mol
LogP2.80
Rot. Bonds2

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

(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine (PubChem CID 104930323) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
PubChem CID104930323
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(N2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H16F3N3/c1-9(17)10-2-5-18-12(8-10)19-6-3-11(4-7-19)13(14,15)16/h2-3,5,8-9H,4,6-7,17H2,1H3/t9-/m1/s1
InChIKeyJFKUYTRUVFJACB-SECBINFHSA-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'}

Analyze (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
CID 104921402
(1S)-1-[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]ethanamine
CID 104930325
(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930369
(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
(1R)-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)-4-pyridinyl]ethanamine
CID 102744222
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490352
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
CID 113338983
1-[3-chloro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490342
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine (CID 104930323) is (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine is C[C@@H](N)c1ccnc(N2CC=C(C(F)(F)F)CC2)c1.
What is the InChIKey of (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine?
The InChIKey is JFKUYTRUVFJACB-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-9(17)10-2-5-18-12(8-10)19-6-3-11(4-7-19)13(14,15)16/h2-3,5,8-9H,4,6-7,17H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine?
(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-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 (1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine is sourced from PubChem (CID 104930323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).