3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine

C12H16F3N3 — CID 43752745

IUPAC3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine
SMILESNCC(N1CCCC1c1ccncc1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(8-16)18-7-1-2-10(18)9-3-5-17-6-4-9/h3-6,10-11H,1-2,7-8,16H2
InChIKeyCTABIQNZBHOGDK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.11
Rot. Bonds3

About 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine

3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine (PubChem CID 43752745) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine
PubChem CID43752745
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine
SMILESNCC(N1CCCC1c1ccncc1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(8-16)18-7-1-2-10(18)9-3-5-17-6-4-9/h3-6,10-11H,1-2,7-8,16H2
InChIKeyCTABIQNZBHOGDK-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-amine
CID 43752741
2-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 104523148
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 81296520
[2-chloro-6-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62500745
2-(3-amino-1,1,1-trifluoropropan-2-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79940715
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
(2S)-2-pyridin-4-ylpyrrolidine-1-sulfinic acid
CID 157037060
2-pyridin-4-ylpyrrolidine-1-sulfinic acid
CID 157036994
[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62492795
2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62308633
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine (CID 43752745) is 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine is NCC(N1CCCC1c1ccncc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is CTABIQNZBHOGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)11(8-16)18-7-1-2-10(18)9-3-5-17-6-4-9/h3-6,10-11H,1-2,7-8,16H2.
What are the key properties of 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine?
3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-pyridin-4-ylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 43752745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).