(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine

C12H15F3N2 — CID 71648802

IUPAC(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESFC(F)(F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)16-11-6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m1/s1
InChIKeyAKBIYCYPMJGIDW-LLVKDONJSA-N
MW244.26 g/mol
LogP2.37
Rot. Bonds3

About (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine

(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 71648802) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID71648802
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
SMILESFC(F)(F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)16-11-6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m1/s1
InChIKeyAKBIYCYPMJGIDW-LLVKDONJSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine (CID 71648802) is (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine is FC(F)(F)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is AKBIYCYPMJGIDW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)16-11-6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine?
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71648802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).