3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol

C17H20FNO2 — CID 3427706

IUPAC3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCCOc1ccc(NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyQLDICCDOPKTAMN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.76
Rot. Bonds7

About 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol

3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 3427706) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol
PubChem CID3427706
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCCOc1ccc(NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyQLDICCDOPKTAMN-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Florbetaben (18F)
CID 11501341
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Florbetaben unlabelled
CID 53257383
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
4-[(4-iodophenyl)methoxy]-N-methylaniline
CID 65477722
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
CID 10949261
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol (CID 3427706) is 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol is CCOc1ccc(NCCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is QLDICCDOPKTAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,19-20H,2,11-12H2,1H3.
What are the key properties of 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 3427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).