1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine

C13H14F5NO — CID 62585092

IUPAC1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C13H14F5NO/c1-6(7-2-3-7)19-4-5-20-13-11(17)9(15)8(14)10(16)12(13)18/h6-7,19H,2-5H2,1H3
InChIKeyDQHRHFJZPSFQMC-UHFFFAOYSA-N
MW295.25 g/mol
LogP3.15
Rot. Bonds6

About 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine

1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine (PubChem CID 62585092) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
PubChem CID62585092
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC Name1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C13H14F5NO/c1-6(7-2-3-7)19-4-5-20-13-11(17)9(15)8(14)10(16)12(13)18/h6-7,19H,2-5H2,1H3
InChIKeyDQHRHFJZPSFQMC-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
1,2,3,4,5-pentafluoro-6-(2-propan-2-yloxyethoxy)benzene
CID 89251421
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine (CID 62585092) is 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine is CC(NCCOc1c(F)c(F)c(F)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
The InChIKey is DQHRHFJZPSFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c1-6(7-2-3-7)19-4-5-20-13-11(17)9(15)8(14)10(16)12(13)18/h6-7,19H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine?
1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine has a molecular weight of 295.25 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 62585092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).