N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine

C13H17F2NO — CID 62570847

IUPACN-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccc(OCCNC2CCCC2)c(F)c1
InChIInChI=1S/C13H17F2NO/c14-10-5-6-13(12(15)9-10)17-8-7-16-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8H2
InChIKeyOXZIIIZXVWBTAE-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine

N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine (PubChem CID 62570847) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
PubChem CID62570847
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccc(OCCNC2CCCC2)c(F)c1
InChIInChI=1S/C13H17F2NO/c14-10-5-6-13(12(15)9-10)17-8-7-16-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8H2
InChIKeyOXZIIIZXVWBTAE-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.88
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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Related Compounds

N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
CID 107101679
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine (CID 62570847) is N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine is Fc1ccc(OCCNC2CCCC2)c(F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine?
The InChIKey is OXZIIIZXVWBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-5-6-13(12(15)9-10)17-8-7-16-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8H2.
What are the key properties of N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine?
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine has a molecular weight of 241.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 62570847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).