1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine

C17H18FN — CID 18357580

IUPAC1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1-c1ccc(C)cc1F
InChIInChI=1S/C17H18FN/c1-3-6-17(19)15-8-5-4-7-13(15)14-10-9-12(2)11-16(14)18/h3-5,7-11,17H,1,6,19H2,2H3
InChIKeyPOSBQGMRQSVQNN-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.38
Rot. Bonds4

About 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine

1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine (PubChem CID 18357580) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
PubChem CID18357580
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1-c1ccc(C)cc1F
InChIInChI=1S/C17H18FN/c1-3-6-17(19)15-8-5-4-7-13(15)14-10-9-12(2)11-16(14)18/h3-5,7-11,17H,1,6,19H2,2H3
InChIKeyPOSBQGMRQSVQNN-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine?
The IUPAC name of 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine (CID 18357580) is 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine?
The canonical SMILES for 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine is C=CCC(N)c1ccccc1-c1ccc(C)cc1F.
What is the InChIKey of 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine?
The InChIKey is POSBQGMRQSVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-3-6-17(19)15-8-5-4-7-13(15)14-10-9-12(2)11-16(14)18/h3-5,7-11,17H,1,6,19H2,2H3.
What are the key properties of 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine?
1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine has a molecular weight of 255.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-methylphenyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 18357580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).