4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline

C17H19F2NO — CID 114871801

IUPAC4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCOc1ccc(NC(CC)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-16(12-6-5-7-13(18)10-12)20-14-8-9-17(21-4-2)15(19)11-14/h5-11,16,20H,3-4H2,1-2H3
InChIKeyHLBZOUHSZDSFJG-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.93
Rot. Bonds6

About 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline

4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline (PubChem CID 114871801) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
PubChem CID114871801
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCOc1ccc(NC(CC)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-16(12-6-5-7-13(18)10-12)20-14-8-9-17(21-4-2)15(19)11-14/h5-11,16,20H,3-4H2,1-2H3
InChIKeyHLBZOUHSZDSFJG-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-[1-(3-fluorophenyl)propyl]-4-methyl-3-nitroaniline
CID 114871280

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline?
The IUPAC name of 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline (CID 114871801) is 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline is CCOc1ccc(NC(CC)c2cccc(F)c2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline?
The InChIKey is HLBZOUHSZDSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-16(12-6-5-7-13(18)10-12)20-14-8-9-17(21-4-2)15(19)11-14/h5-11,16,20H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline?
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline has a molecular weight of 291.34 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline is sourced from PubChem (CID 114871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).