1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine

C14H18F3N3 — CID 114489517

IUPAC1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3/c1-10(18)13(12-4-2-3-7-19-12)20-8-5-11(6-9-20)14(15,16)17/h2-5,7,10,13H,6,8-9,18H2,1H3
InChIKeyHEXNHKGLICZWAG-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.66
Rot. Bonds3

About 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine

1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 114489517) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID114489517
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3/c1-10(18)13(12-4-2-3-7-19-12)20-8-5-11(6-9-20)14(15,16)17/h2-5,7,10,13H,6,8-9,18H2,1H3
InChIKeyHEXNHKGLICZWAG-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.66
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

1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489625
1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489643
1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63155208
1-(4-ethyl-4-methylpiperidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 55166215
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 55217333
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
CID 104930323
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
CID 55153506
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775
1-(3-propylpyrrolidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 113417004
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 114489517) is 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is CC(N)C(c1ccccn1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is HEXNHKGLICZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-10(18)13(12-4-2-3-7-19-12)20-8-5-11(6-9-20)14(15,16)17/h2-5,7,10,13H,6,8-9,18H2,1H3.
What are the key properties of 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 285.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 114489517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).