N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C15H19F3N2O — CID 62512722

IUPACN-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Oc1ccccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)21-14-4-2-1-3-13(14)20-8-7-11(10-20)9-19-12-5-6-12/h1-4,11-12,19H,5-10H2
InChIKeyNSNNXUQMTAFMJM-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.16
Rot. Bonds5

About N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62512722) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62512722
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Oc1ccccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)21-14-4-2-1-3-13(14)20-8-7-11(10-20)9-19-12-5-6-12/h1-4,11-12,19H,5-10H2
InChIKeyNSNNXUQMTAFMJM-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62512722) is N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine is FC(F)(F)Oc1ccccc1N1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is NSNNXUQMTAFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)21-14-4-2-1-3-13(14)20-8-7-11(10-20)9-19-12-5-6-12/h1-4,11-12,19H,5-10H2.
What are the key properties of N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 300.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62512722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).