4-fluoro-2-methyl-N-prop-2-enylaniline

C10H12FN — CID 62141811

IUPAC4-fluoro-2-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(F)cc1C
InChIInChI=1S/C10H12FN/c1-3-6-12-10-5-4-9(11)7-8(10)2/h3-5,7,12H,1,6H2,2H3
InChIKeyXOZKFLVWYIHDIK-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.73
Rot. Bonds3

About 4-fluoro-2-methyl-N-prop-2-enylaniline

4-fluoro-2-methyl-N-prop-2-enylaniline (PubChem CID 62141811) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-prop-2-enylaniline
PubChem CID62141811
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-fluoro-2-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(F)cc1C
InChIInChI=1S/C10H12FN/c1-3-6-12-10-5-4-9(11)7-8(10)2/h3-5,7,12H,1,6H2,2H3
InChIKeyXOZKFLVWYIHDIK-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.73
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-prop-2-enylaniline
CID 11768869
4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604424
4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
4-(4-fluoro-2-methylanilino)-2,2-dimethylbutanenitrile
CID 65248851
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-prop-2-enylaniline?
The IUPAC name of 4-fluoro-2-methyl-N-prop-2-enylaniline (CID 62141811) is 4-fluoro-2-methyl-N-prop-2-enylaniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-prop-2-enylaniline?
The canonical SMILES for 4-fluoro-2-methyl-N-prop-2-enylaniline is C=CCNc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-prop-2-enylaniline?
The InChIKey is XOZKFLVWYIHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-6-12-10-5-4-9(11)7-8(10)2/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 4-fluoro-2-methyl-N-prop-2-enylaniline?
4-fluoro-2-methyl-N-prop-2-enylaniline has a molecular weight of 165.21 g/mol, XLogP of 2.73, 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-prop-2-enylaniline is sourced from PubChem (CID 62141811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).