1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine

C16H16FN — CID 126516914

IUPAC1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-2-12-16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h2-11H,1,12,18H2
InChIKeyCGRMMCGFDNIHFQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine

1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine (PubChem CID 126516914) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine
PubChem CID126516914
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN/c1-2-12-16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h2-11H,1,12,18H2
InChIKeyCGRMMCGFDNIHFQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine (CID 126516914) is 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine is C=CCC(N)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine?
The InChIKey is CGRMMCGFDNIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-2-12-16(18,13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h2-11H,1,12,18H2.
What are the key properties of 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine?
1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-phenylbut-3-en-1-amine is sourced from PubChem (CID 126516914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).