2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine

C14H19F3N2O — CID 60973440

IUPAC2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10-5-4-8-19(10)12(9-18)11-6-2-3-7-13(11)20-14(15,16)17/h2-3,6-7,10,12H,4-5,8-9,18H2,1H3
InChIKeyIPDIKFMZWIXISJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.07
Rot. Bonds4

About 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine

2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 60973440) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID60973440
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCC1CCCN1C(CN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10-5-4-8-19(10)12(9-18)11-6-2-3-7-13(11)20-14(15,16)17/h2-3,6-7,10,12H,4-5,8-9,18H2,1H3
InChIKeyIPDIKFMZWIXISJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (CID 60973440) is 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is CC1CCCN1C(CN)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is IPDIKFMZWIXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-5-4-8-19(10)12(9-18)11-6-2-3-7-13(11)20-14(15,16)17/h2-3,6-7,10,12H,4-5,8-9,18H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 288.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 60973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).