N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline

C17H18FN — CID 139240302

IUPACN-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline
SMILESC=CCC(Nc1ccccc1C)c1ccccc1F
InChIInChI=1S/C17H18FN/c1-3-8-17(14-10-5-6-11-15(14)18)19-16-12-7-4-9-13(16)2/h3-7,9-12,17,19H,1,8H2,2H3
InChIKeyDFXRIOMDRVQSCK-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.86
Rot. Bonds5

About N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline

N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline (PubChem CID 139240302) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline
PubChem CID139240302
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline
SMILESC=CCC(Nc1ccccc1C)c1ccccc1F
InChIInChI=1S/C17H18FN/c1-3-8-17(14-10-5-6-11-15(14)18)19-16-12-7-4-9-13(16)2/h3-7,9-12,17,19H,1,8H2,2H3
InChIKeyDFXRIOMDRVQSCK-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.86
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 N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline?
The IUPAC name of N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline (CID 139240302) is N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline is C=CCC(Nc1ccccc1C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline?
The InChIKey is DFXRIOMDRVQSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-3-8-17(14-10-5-6-11-15(14)18)19-16-12-7-4-9-13(16)2/h3-7,9-12,17,19H,1,8H2,2H3.
What are the key properties of N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline?
N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline has a molecular weight of 255.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)but-3-enyl]-2-methylaniline is sourced from PubChem (CID 139240302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).