4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline

C12H16FN — CID 103604424

IUPAC4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1ccc(F)cc1C
InChIInChI=1S/C12H16FN/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3/h4-6,8,14H,7H2,1-3H3
InChIKeyRTDXXXZVPMEXNF-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.51
Rot. Bonds3

About 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline

4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline (PubChem CID 103604424) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
PubChem CID103604424
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
SMILESCC(C)=CCNc1ccc(F)cc1C
InChIInChI=1S/C12H16FN/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3/h4-6,8,14H,7H2,1-3H3
InChIKeyRTDXXXZVPMEXNF-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527765
2,4,5-trifluoro-N-(3-methylbut-2-enyl)aniline
CID 107899900
2-chloro-4-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604374
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
2,4-dibromo-N-(3-methylbut-2-enyl)aniline
CID 107899791
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
CID 114492688
4-fluoro-N-heptyl-2-methylaniline
CID 43129346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline (CID 103604424) is 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline is CC(C)=CCNc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline?
The InChIKey is RTDXXXZVPMEXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline?
4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline has a molecular weight of 193.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline is sourced from PubChem (CID 103604424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).