4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline

C16H16FN — CID 11230224

IUPAC4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline
SMILESC=C(C)c1ccc(C)cc1-c1cc(F)ccc1N
InChIInChI=1S/C16H16FN/c1-10(2)13-6-4-11(3)8-14(13)15-9-12(17)5-7-16(15)18/h4-9H,1,18H2,2-3H3
InChIKeyHRRJVCAMBSKBCV-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.42
Rot. Bonds2

About 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline

4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline (PubChem CID 11230224) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline
PubChem CID11230224
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline
SMILESC=C(C)c1ccc(C)cc1-c1cc(F)ccc1N
InChIInChI=1S/C16H16FN/c1-10(2)13-6-4-11(3)8-14(13)15-9-12(17)5-7-16(15)18/h4-9H,1,18H2,2-3H3
InChIKeyHRRJVCAMBSKBCV-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline 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 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline?
The IUPAC name of 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline (CID 11230224) is 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline.
What is the SMILES notation for 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline?
The canonical SMILES for 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline is C=C(C)c1ccc(C)cc1-c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline?
The InChIKey is HRRJVCAMBSKBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-10(2)13-6-4-11(3)8-14(13)15-9-12(17)5-7-16(15)18/h4-9H,1,18H2,2-3H3.
What are the key properties of 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline?
4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline has a molecular weight of 241.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-methyl-2-prop-1-en-2-ylphenyl)aniline is sourced from PubChem (CID 11230224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).