N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine

C14H17BrF3NO2 — CID 102714913

IUPACN-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)COc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO2/c1-9(7-19-10-2-3-10)8-20-11-4-5-13(12(15)6-11)21-14(16,17)18/h4-6,9-10,19H,2-3,7-8H2,1H3
InChIKeyFYXHZUGOASXJPE-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.11
Rot. Bonds7

About N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine

N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine (PubChem CID 102714913) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
PubChem CID102714913
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC NameN-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)COc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C14H17BrF3NO2/c1-9(7-19-10-2-3-10)8-20-11-4-5-13(12(15)6-11)21-14(16,17)18/h4-6,9-10,19H,2-3,7-8H2,1H3
InChIKeyFYXHZUGOASXJPE-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-(cyclopropylamino)propan-2-ol
CID 102714373
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropane-1-sulfonyl chloride
CID 102715052
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
2-bromo-4-[2-(bromomethyl)pentoxy]-1-(trifluoromethoxy)benzene
CID 102714406
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-3-methylbutan-1-amine
CID 102715012
4-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]oxane
CID 102674570
2-bromo-4-(2-butoxyethoxy)-1-(trifluoromethoxy)benzene
CID 102714755
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 107342323
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine (CID 102714913) is N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)COc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine?
The InChIKey is FYXHZUGOASXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c1-9(7-19-10-2-3-10)8-20-11-4-5-13(12(15)6-11)21-14(16,17)18/h4-6,9-10,19H,2-3,7-8H2,1H3.
What are the key properties of N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine?
N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine has a molecular weight of 368.19 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 102714913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).