N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine

C14H17F4NO — CID 103289329

IUPACN-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1c(F)c(F)cc(F)c1F)C1CC1
InChIInChI=1S/C14H17F4NO/c1-2-5-19-11(8-3-4-8)7-20-14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,2-5,7H2,1H3
InChIKeyPXUBFYFDTYDZFQ-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.40
Rot. Bonds7

About N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine (PubChem CID 103289329) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
PubChem CID103289329
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC NameN-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1c(F)c(F)cc(F)c1F)C1CC1
InChIInChI=1S/C14H17F4NO/c1-2-5-19-11(8-3-4-8)7-20-14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,2-5,7H2,1H3
InChIKeyPXUBFYFDTYDZFQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
methyl 2-(propylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103289999
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
CID 103289339

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine (CID 103289329) is N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine is CCCNC(COc1c(F)c(F)cc(F)c1F)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The InChIKey is PXUBFYFDTYDZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-2-5-19-11(8-3-4-8)7-20-14-12(17)9(15)6-10(16)13(14)18/h6,8,11,19H,2-5,7H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine has a molecular weight of 291.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103289329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).