N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine

C13H18FNO — CID 2948941

IUPACN-[2-(2-fluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccccc1OCCNC1CCCC1
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
InChIKeyAMVRJLZETIMKBR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine

N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine (PubChem CID 2948941) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]cyclopentanamine
PubChem CID2948941
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccccc1OCCNC1CCCC1
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
InChIKeyAMVRJLZETIMKBR-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine (CID 2948941) is N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine is Fc1ccccc1OCCNC1CCCC1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine?
The InChIKey is AMVRJLZETIMKBR-UHFFFAOYSA-N. 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.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine?
N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine has a molecular weight of 223.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 2948941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).