(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine

C13H17F3N2 — CID 124869772

IUPAC(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESC[C@@]1(N)CN(Cc2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-12(17)9-18(8-11(12)13(14,15)16)7-10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3/t11-,12-/m1/s1
InChIKeyGLKCPTSZDCRGOB-VXGBXAGGSA-N
MW258.29 g/mol
LogP2.40
Rot. Bonds2

About (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine

(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 124869772) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID124869772
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
SMILESC[C@@]1(N)CN(Cc2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-12(17)9-18(8-11(12)13(14,15)16)7-10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3/t11-,12-/m1/s1
InChIKeyGLKCPTSZDCRGOB-VXGBXAGGSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 124869781
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
(3aS,6aS)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125461885
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine (CID 124869772) is (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine is C[C@@]1(N)CN(Cc2ccccc2)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is GLKCPTSZDCRGOB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-12(17)9-18(8-11(12)13(14,15)16)7-10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine?
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 124869772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).