4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline

C17H18FNO — CID 11471240

IUPAC4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18FNO/c1-3-4-17(13-5-11-16(20-2)12-6-13)19-15-9-7-14(18)8-10-15/h3,5-12,17,19H,1,4H2,2H3
InChIKeyBJAHHLCTEPCGRN-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.56
Rot. Bonds6

About 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline

4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline (PubChem CID 11471240) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
PubChem CID11471240
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18FNO/c1-3-4-17(13-5-11-16(20-2)12-6-13)19-15-9-7-14(18)8-10-15/h3,5-12,17,19H,1,4H2,2H3
InChIKeyBJAHHLCTEPCGRN-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
N-[(1R)-1-(4-fluorophenyl)-2-nitroethyl]-4-methoxyaniline
CID 94706777
1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
CID 11471172
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
CID 101042667
N-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416899
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline (CID 11471240) is 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline is C=CCC(Nc1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline?
The InChIKey is BJAHHLCTEPCGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-3-4-17(13-5-11-16(20-2)12-6-13)19-15-9-7-14(18)8-10-15/h3,5-12,17,19H,1,4H2,2H3.
What are the key properties of 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline?
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline is sourced from PubChem (CID 11471240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).