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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Related Compounds

2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
CID 106760054
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039844
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
CID 176552586
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine
CID 155721008
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583

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).