N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine

C14H17BrF3NO2 — CID 102715022

IUPACN-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
SMILESFC(F)(F)Oc1ccc(OCCNC2CCCC2)cc1Br
InChIInChI=1S/C14H17BrF3NO2/c15-12-9-11(5-6-13(12)21-14(16,17)18)20-8-7-19-10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2
InChIKeyGVBPFXAUWYPJBR-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.26
Rot. Bonds6

About N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine

N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine (PubChem CID 102715022) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
PubChem CID102715022
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC NameN-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
SMILESFC(F)(F)Oc1ccc(OCCNC2CCCC2)cc1Br
InChIInChI=1S/C14H17BrF3NO2/c15-12-9-11(5-6-13(12)21-14(16,17)18)20-8-7-19-10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2
InChIKeyGVBPFXAUWYPJBR-UHFFFAOYSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.26
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-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
CID 102714913
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
1-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-(cyclopropylamino)propan-2-ol
CID 102714373
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-3-methylbutan-1-amine
CID 102715012
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
3-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 102714818
2-bromo-4-(2-butoxyethoxy)-1-(trifluoromethoxy)benzene
CID 102714755
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
4-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]oxane
CID 102674570

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine (CID 102715022) is N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine is FC(F)(F)Oc1ccc(OCCNC2CCCC2)cc1Br.
What is the InChIKey of N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine?
The InChIKey is GVBPFXAUWYPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c15-12-9-11(5-6-13(12)21-14(16,17)18)20-8-7-19-10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2.
What are the key properties of N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine?
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine has a molecular weight of 368.19 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine is sourced from PubChem (CID 102715022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).