1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine

C15H14FNO — CID 57083862

IUPAC1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
SMILESCONC(=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c1-18-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-11,17H,1H3
InChIKeyRLVYLLNHJFLFFF-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine

1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine (PubChem CID 57083862) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
PubChem CID57083862
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
SMILESCONC(=Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c1-18-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-11,17H,1H3
InChIKeyRLVYLLNHJFLFFF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine (CID 57083862) is 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine is CONC(=Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine?
The InChIKey is RLVYLLNHJFLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-11,17H,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine?
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine has a molecular weight of 243.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine is sourced from PubChem (CID 57083862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).