3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine

C17H18FN — CID 54137822

IUPAC3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine
SMILESCNCC=C(C)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN/c1-13(11-12-19-2)14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h3-11,19H,12H2,1-2H3
InChIKeyNYYMIXWWWBYZIM-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.12
Rot. Bonds4

About 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine

3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine (PubChem CID 54137822) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine
PubChem CID54137822
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine
SMILESCNCC=C(C)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN/c1-13(11-12-19-2)14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h3-11,19H,12H2,1-2H3
InChIKeyNYYMIXWWWBYZIM-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine (CID 54137822) is 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine is CNCC=C(C)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine?
The InChIKey is NYYMIXWWWBYZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-13(11-12-19-2)14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h3-11,19H,12H2,1-2H3.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine?
3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine has a molecular weight of 255.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-N-methylbut-2-en-1-amine is sourced from PubChem (CID 54137822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).