N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine

C13H17ClFNO — CID 55093016

IUPACN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccc(OCCNC2CCCC2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c14-12-9-11(5-6-13(12)15)17-8-7-16-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2
InChIKeyFLXJXAHFXFEFLT-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine

N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine (PubChem CID 55093016) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
PubChem CID55093016
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
SMILESFc1ccc(OCCNC2CCCC2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c14-12-9-11(5-6-13(12)15)17-8-7-16-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2
InChIKeyFLXJXAHFXFEFLT-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.39
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-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine (CID 55093016) is N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine is Fc1ccc(OCCNC2CCCC2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine?
The InChIKey is FLXJXAHFXFEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-9-11(5-6-13(12)15)17-8-7-16-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2.
What are the key properties of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine?
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine has a molecular weight of 257.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine is sourced from PubChem (CID 55093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).