N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine

C13H15F4NO2 — CID 107696269

IUPACN-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCCOC(F)(F)F)c(CNC2CC2)c1
InChIInChI=1S/C13H15F4NO2/c14-10-1-4-12(19-5-6-20-13(15,16)17)9(7-10)8-18-11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2
InChIKeyFYWUOHUIGCMIST-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.99
Rot. Bonds7

About N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 107696269) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID107696269
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC NameN-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCCOC(F)(F)F)c(CNC2CC2)c1
InChIInChI=1S/C13H15F4NO2/c14-10-1-4-12(19-5-6-20-13(15,16)17)9(7-10)8-18-11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2
InChIKeyFYWUOHUIGCMIST-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379
4-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107696474
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696476
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 107696269) is N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine is Fc1ccc(OCCOC(F)(F)F)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is FYWUOHUIGCMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c14-10-1-4-12(19-5-6-20-13(15,16)17)9(7-10)8-18-11-2-3-11/h1,4,7,11,18H,2-3,5-6,8H2.
What are the key properties of N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 293.26 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).