1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C19H21F3N2 — CID 55378502

IUPAC1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-16(18)12-23-17-10-11-24(14-17)13-15-6-2-1-3-7-15/h1-9,17,23H,10-14H2
InChIKeyXQVKPJQZYNQTNH-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 55378502) has the molecular formula C19H21F3N2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID55378502
Molecular FormulaC19H21F3N2
Molecular Weight334.38 g/mol
Exact Mass334.17
IUPAC Name1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-16(18)12-23-17-10-11-24(14-17)13-15-6-2-1-3-7-15/h1-9,17,23H,10-14H2
InChIKeyXQVKPJQZYNQTNH-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 91547218
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 55378502) is 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccccc1CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XQVKPJQZYNQTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c20-19(21,22)18-9-5-4-8-16(18)12-23-17-10-11-24(14-17)13-15-6-2-1-3-7-15/h1-9,17,23H,10-14H2.
What are the key properties of 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 334.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55378502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).