1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C19H21F3N2 — CID 162659207

IUPAC1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)17-8-6-15(7-9-17)12-23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,18,23H,10-14H2
InChIKeyHHNLYSCYFKASFN-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 162659207) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID162659207
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)17-8-6-15(7-9-17)12-23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,18,23H,10-14H2
InChIKeyHHNLYSCYFKASFN-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 ≤ 500334.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 162659207) is 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is HHNLYSCYFKASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c20-19(21,22)17-8-6-15(7-9-17)12-23-18-10-11-24(14-18)13-16-4-2-1-3-5-16/h1-9,18,23H,10-14H2.
What are the key properties of 1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 334.39 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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 162659207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).