1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine

C13H17F3N2 — CID 103976672

IUPAC1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c1-9(17)10-6-7-18(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyQNADSDUHHLINFM-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.88
Rot. Bonds2

About 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine

1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103976672) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
PubChem CID103976672
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c1-9(17)10-6-7-18(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyQNADSDUHHLINFM-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine (CID 103976672) is 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is QNADSDUHHLINFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9(17)10-6-7-18(8-10)12-4-2-11(3-5-12)13(14,15)16/h2-5,9-10H,6-8,17H2,1H3.
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine?
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).