1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine

C12H15ClFNO — CID 88851553

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
SMILESCONC(C)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3
InChIKeyHLZSPMHLFLXURM-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine (PubChem CID 88851553) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
PubChem CID88851553
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
SMILESCONC(C)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3
InChIKeyHLZSPMHLFLXURM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine (CID 88851553) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine is CONC(C)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The InChIKey is HLZSPMHLFLXURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine has a molecular weight of 243.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine is sourced from PubChem (CID 88851553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).