1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine

C9H11ClFNO — CID 82707344

IUPAC1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-6(12-13-2)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3
InChIKeyJBBUFBYPKSBBML-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine

1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine (PubChem CID 82707344) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine
PubChem CID82707344
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-6(12-13-2)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3
InChIKeyJBBUFBYPKSBBML-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.69
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-chloro-4-fluorophenyl)-N-methoxyethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine (CID 82707344) is 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine is CONC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine?
The InChIKey is JBBUFBYPKSBBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6(12-13-2)8-4-3-7(11)5-9(8)10/h3-6,12H,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine?
1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methoxyethanamine is sourced from PubChem (CID 82707344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).