2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine

C14H19ClFNO — CID 103273350

IUPAC2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C14H19ClFNO/c1-2-17-9-8-14(6-3-7-14)18-13-5-4-11(16)10-12(13)15/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyKLXDALFQEPDBTL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.78
Rot. Bonds6

About 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine

2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine (PubChem CID 103273350) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine
PubChem CID103273350
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C14H19ClFNO/c1-2-17-9-8-14(6-3-7-14)18-13-5-4-11(16)10-12(13)15/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyKLXDALFQEPDBTL-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.78
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 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine (CID 103273350) is 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine is CCNCCC1(Oc2ccc(F)cc2Cl)CCC1.
What is the InChIKey of 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine?
The InChIKey is KLXDALFQEPDBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-2-17-9-8-14(6-3-7-14)18-13-5-4-11(16)10-12(13)15/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine?
2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-fluorophenoxy)cyclobutyl]-N-ethylethanamine is sourced from PubChem (CID 103273350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).