4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine

C11H14FNO — CID 171158074

IUPAC4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
SMILESCNCC=CCOc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-13-7-2-3-8-14-11-6-4-5-10(12)9-11/h2-6,9,13H,7-8H2,1H3
InChIKeyQUOQHNRVHBJSAE-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.98
Rot. Bonds5

About 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine

4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine (PubChem CID 171158074) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
PubChem CID171158074
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
SMILESCNCC=CCOc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-13-7-2-3-8-14-11-6-4-5-10(12)9-11/h2-6,9,13H,7-8H2,1H3
InChIKeyQUOQHNRVHBJSAE-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine?
The IUPAC name of 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine (CID 171158074) is 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine?
The canonical SMILES for 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine is CNCC=CCOc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine?
The InChIKey is QUOQHNRVHBJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-7-2-3-8-14-11-6-4-5-10(12)9-11/h2-6,9,13H,7-8H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine?
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 171158074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).