1-(4-fluorophenyl)-N-methoxyethanamine

C9H12FNO — CID 22485632

IUPAC1-(4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyMTJGYFXYGRDUGX-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.04
Rot. Bonds3

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

1-(4-fluorophenyl)-N-methoxyethanamine (PubChem CID 22485632) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxyethanamine
PubChem CID22485632
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-(4-fluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKeyMTJGYFXYGRDUGX-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.04
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-(4-fluorophenyl)-N-methoxyethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxyethanamine (CID 22485632) is 1-(4-fluorophenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxyethanamine is CONC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxyethanamine?
The InChIKey is MTJGYFXYGRDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxyethanamine?
1-(4-fluorophenyl)-N-methoxyethanamine has a molecular weight of 169.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxyethanamine is sourced from PubChem (CID 22485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).