4-fluoro-N-(2-methylbut-3-en-2-yl)aniline

C11H14FN — CID 130015920

IUPAC4-fluoro-N-(2-methylbut-3-en-2-yl)aniline
SMILESC=CC(C)(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-4-11(2,3)13-10-7-5-9(12)6-8-10/h4-8,13H,1H2,2-3H3
InChIKeyMVPDGBPAXMRKLD-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.20
Rot. Bonds3

About 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline

4-fluoro-N-(2-methylbut-3-en-2-yl)aniline (PubChem CID 130015920) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methylbut-3-en-2-yl)aniline
PubChem CID130015920
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name4-fluoro-N-(2-methylbut-3-en-2-yl)aniline
SMILESC=CC(C)(C)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-4-11(2,3)13-10-7-5-9(12)6-8-10/h4-8,13H,1H2,2-3H3
InChIKeyMVPDGBPAXMRKLD-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.20
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

4-(2-methylbut-3-en-2-ylamino)benzoyl bromide
CID 137352511
2-(4-fluoroanilino)-2-methylhex-5-enamide
CID 104655903
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
chloromethane;(4-fluorophenyl)hydrazine
CID 158547421
2-(4-fluoroanilino)-2-methylheptanenitrile
CID 80557640
2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 112743486
N-(4,4-dimethylpentyl)-4-fluoroaniline
CID 69410381
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640274
2-(4-fluoroanilino)-2-propylpentan-1-ol
CID 61048961
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline?
The IUPAC name of 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline (CID 130015920) is 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline?
The canonical SMILES for 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline is C=CC(C)(C)Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline?
The InChIKey is MVPDGBPAXMRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-4-11(2,3)13-10-7-5-9(12)6-8-10/h4-8,13H,1H2,2-3H3.
What are the key properties of 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline?
4-fluoro-N-(2-methylbut-3-en-2-yl)aniline has a molecular weight of 179.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylbut-3-en-2-yl)aniline is sourced from PubChem (CID 130015920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).