[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

C14H19F3N2 — CID 124869781

IUPAC[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESC[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1CN
InChIInChI=1S/C14H19F3N2/c1-13(14(15,16)17)10-19(9-12(13)7-18)8-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3/t12-,13-/m1/s1
InChIKeyJDBMWFKHEQIDAK-CHWSQXEVSA-N
MW272.31 g/mol
LogP2.65
Rot. Bonds3

About [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (PubChem CID 124869781) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
PubChem CID124869781
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESC[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1CN
InChIInChI=1S/C14H19F3N2/c1-13(14(15,16)17)10-19(9-12(13)7-18)8-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3/t12-,13-/m1/s1
InChIKeyJDBMWFKHEQIDAK-CHWSQXEVSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 124869772
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795
(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride
CID 155821438
(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
(2S)-1-benzyl-2-phenyl-2-(trifluoromethyl)aziridine
CID 53309010
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (CID 124869781) is [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is C[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1CN.
What is the InChIKey of [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is JDBMWFKHEQIDAK-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-13(14(15,16)17)10-19(9-12(13)7-18)8-11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
[(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 124869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).