N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine

C11H13BrFNO — CID 65201328

IUPACN-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cc(OCCNC2CC2)ccc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-4-3-9(7-11(10)13)15-6-5-14-8-1-2-8/h3-4,7-8,14H,1-2,5-6H2
InChIKeyCSRDQYJULRFSNQ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine

N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine (PubChem CID 65201328) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
PubChem CID65201328
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cc(OCCNC2CC2)ccc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-4-3-9(7-11(10)13)15-6-5-14-8-1-2-8/h3-4,7-8,14H,1-2,5-6H2
InChIKeyCSRDQYJULRFSNQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.72
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-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 83234428

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine (CID 65201328) is N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine is Fc1cc(OCCNC2CC2)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine?
The InChIKey is CSRDQYJULRFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-4-3-9(7-11(10)13)15-6-5-14-8-1-2-8/h3-4,7-8,14H,1-2,5-6H2.
What are the key properties of N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine?
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine has a molecular weight of 274.13 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 65201328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).