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

C11H13ClFNO — CID 62598575

IUPACN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1ccc(OCCNC2CC2)cc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-7-9(3-4-11(10)13)15-6-5-14-8-1-2-8/h3-4,7-8,14H,1-2,5-6H2
InChIKeyBHFPRFJPMGOKSC-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds5

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

N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine (PubChem CID 62598575) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
PubChem CID62598575
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1ccc(OCCNC2CC2)cc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-7-9(3-4-11(10)13)15-6-5-14-8-1-2-8/h3-4,7-8,14H,1-2,5-6H2
InChIKeyBHFPRFJPMGOKSC-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.61
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]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-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[4-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454256
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine (CID 62598575) is N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine is Fc1ccc(OCCNC2CC2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine?
The InChIKey is BHFPRFJPMGOKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-7-9(3-4-11(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-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine?
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine has a molecular weight of 229.68 g/mol, XLogP of 2.61, 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]cyclopropanamine is sourced from PubChem (CID 62598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).