2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine

C12H23F3N2 — CID 83981091

IUPAC2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
SMILESCC(C)CN1CCC(CCNCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-10(2)7-17-6-4-11(8-17)3-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKGAQTQCFOIPFNG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.51
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine (PubChem CID 83981091) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
PubChem CID83981091
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
SMILESCC(C)CN1CCC(CCNCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-10(2)7-17-6-4-11(8-17)3-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKGAQTQCFOIPFNG-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981099
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62557757
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 165387278
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine (CID 83981091) is 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine is CC(C)CN1CCC(CCNCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine?
The InChIKey is KGAQTQCFOIPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)7-17-6-4-11(8-17)3-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine is sourced from PubChem (CID 83981091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).