4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline

C21H24FN — CID 166763210

IUPAC4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
SMILESC=C(C)c1ccc(F)cc1C(=C)Nc1ccc(CCCC)cc1
InChIInChI=1S/C21H24FN/c1-5-6-7-17-8-11-19(12-9-17)23-16(4)21-14-18(22)10-13-20(21)15(2)3/h8-14,23H,2,4-7H2,1,3H3
InChIKeyJOEISIABHIGHFG-UHFFFAOYSA-N
MW309.43 g/mol
LogP6.28
Rot. Bonds7

About 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline

4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline (PubChem CID 166763210) has the molecular formula C21H24FN and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
PubChem CID166763210
Molecular FormulaC21H24FN
Molecular Weight309.43 g/mol
Exact Mass309.19
IUPAC Name4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
SMILESC=C(C)c1ccc(F)cc1C(=C)Nc1ccc(CCCC)cc1
InChIInChI=1S/C21H24FN/c1-5-6-7-17-8-11-19(12-9-17)23-16(4)21-14-18(22)10-13-20(21)15(2)3/h8-14,23H,2,4-7H2,1,3H3
InChIKeyJOEISIABHIGHFG-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
3-[1-(4-butylanilino)ethenyl]-2-prop-1-en-2-ylbenzonitrile
CID 166763124
4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
1-(4-butylphenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488849
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
4-butyl-N-(2-methylprop-2-enyl)aniline
CID 62331325
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
2-(4-butylanilino)-5-fluorobenzonitrile
CID 63668868
N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
CID 112844513

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline?
The IUPAC name of 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline (CID 166763210) is 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline?
The canonical SMILES for 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline is C=C(C)c1ccc(F)cc1C(=C)Nc1ccc(CCCC)cc1.
What is the InChIKey of 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline?
The InChIKey is JOEISIABHIGHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN/c1-5-6-7-17-8-11-19(12-9-17)23-16(4)21-14-18(22)10-13-20(21)15(2)3/h8-14,23H,2,4-7H2,1,3H3.
What are the key properties of 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline?
4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline has a molecular weight of 309.43 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline is sourced from PubChem (CID 166763210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).