4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine

C13H18F3N3 — CID 118362521

IUPAC4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCCc1ccnc(NC2CCN(CC(F)(F)F)C2)c1
InChIInChI=1S/C13H18F3N3/c1-2-10-3-5-17-12(7-10)18-11-4-6-19(8-11)9-13(14,15)16/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyFEHCBHBZYYTYPQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.69
Rot. Bonds4

About 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine

4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 118362521) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID118362521
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCCc1ccnc(NC2CCN(CC(F)(F)F)C2)c1
InChIInChI=1S/C13H18F3N3/c1-2-10-3-5-17-12(7-10)18-11-4-6-19(8-11)9-13(14,15)16/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyFEHCBHBZYYTYPQ-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine 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

2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764041
1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
CID 144655303
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111913984
6-tert-butylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 133360515

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 118362521) is 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine is CCc1ccnc(NC2CCN(CC(F)(F)F)C2)c1.
What is the InChIKey of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is FEHCBHBZYYTYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-10-3-5-17-12(7-10)18-11-4-6-19(8-11)9-13(14,15)16/h3,5,7,11H,2,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine?
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 118362521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).