cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium

C13H19FNO+ — CID 7454614

IUPACcyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium
SMILESFc1ccccc1OCC[NH2+]C1CCCC1
InChIInChI=1S/C13H18FNO/c14-12-7-3-4-8-13(12)16-10-9-15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/p+1
InChIKeyAMVRJLZETIMKBR-UHFFFAOYSA-O
MW224.30 g/mol
LogP1.71
Rot. Bonds5

About cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium

cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium (PubChem CID 7454614) has the molecular formula C13H19FNO+ and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium
PubChem CID7454614
Molecular FormulaC13H19FNO+
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namecyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium
SMILESFc1ccccc1OCC[NH2+]C1CCCC1
InChIInChI=1S/C13H18FNO/c14-12-7-3-4-8-13(12)16-10-9-15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/p+1
InChIKeyAMVRJLZETIMKBR-UHFFFAOYSA-O
XLogP1.71
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
CID 2263120
cyclopentyl-[(2-fluorophenyl)methyl]azanium
CID 6964173
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
CID 2232105
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium?
The IUPAC name of cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium (CID 7454614) is cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium.
What is the SMILES notation for cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium?
The canonical SMILES for cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium is Fc1ccccc1OCC[NH2+]C1CCCC1.
What is the InChIKey of cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium?
The InChIKey is AMVRJLZETIMKBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18FNO/c14-12-7-3-4-8-13(12)16-10-9-15-11-5-1-2-6-11/h3-4,7-8,11,15H,1-2,5-6,9-10H2/p+1.
What are the key properties of cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium?
cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium has a molecular weight of 224.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(2-fluorophenoxy)ethyl]azanium is sourced from PubChem (CID 7454614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).