4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline

C17H18FNO — CID 76946670

IUPAC4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline
SMILESFc1ccc(NCCOCC=Cc2ccccc2)cc1
InChIInChI=1S/C17H18FNO/c18-16-8-10-17(11-9-16)19-12-14-20-13-4-7-15-5-2-1-3-6-15/h1-11,19H,12-14H2
InChIKeyCXAAEXYTADIFTP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.97
Rot. Bonds7

About 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline

4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline (PubChem CID 76946670) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline
PubChem CID76946670
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline
SMILESFc1ccc(NCCOCC=Cc2ccccc2)cc1
InChIInChI=1S/C17H18FNO/c18-16-8-10-17(11-9-16)19-12-14-20-13-4-7-15-5-2-1-3-6-15/h1-11,19H,12-14H2
InChIKeyCXAAEXYTADIFTP-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
CID 82010260
3-henicosoxyprop-1-enylbenzene
CID 139660432

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline (CID 76946670) is 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline is Fc1ccc(NCCOCC=Cc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline?
The InChIKey is CXAAEXYTADIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-16-8-10-17(11-9-16)19-12-14-20-13-4-7-15-5-2-1-3-6-15/h1-11,19H,12-14H2.
What are the key properties of 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline?
4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-phenylprop-2-enoxy)ethyl]aniline is sourced from PubChem (CID 76946670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).