2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol

C17H20FNO2 — CID 62500445

IUPAC2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(CO)Nc2ccccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-2-10-21-14-7-5-6-13(11-14)17(12-20)19-16-9-4-3-8-15(16)18/h3-9,11,17,19-20H,2,10,12H2,1H3
InChIKeyZRCUWJUPQDMEMB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol

2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol (PubChem CID 62500445) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
PubChem CID62500445
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(CO)Nc2ccccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-2-10-21-14-7-5-6-13(11-14)17(12-20)19-16-9-4-3-8-15(16)18/h3-9,11,17,19-20H,2,10,12H2,1H3
InChIKeyZRCUWJUPQDMEMB-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

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Related Compounds

N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
1-[bromo-(3-propoxyphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79724079
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol?
The IUPAC name of 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol (CID 62500445) is 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol?
The canonical SMILES for 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol is CCCOc1cccc(C(CO)Nc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol?
The InChIKey is ZRCUWJUPQDMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-10-21-14-7-5-6-13(11-14)17(12-20)19-16-9-4-3-8-15(16)18/h3-9,11,17,19-20H,2,10,12H2,1H3.
What are the key properties of 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol?
2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol 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 2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol is sourced from PubChem (CID 62500445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).