1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

C13H20FNO2 — CID 112512391

IUPAC1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCCOc1ccc(C(O)CNC(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-17-13-6-5-10(7-11(13)14)12(16)8-15-9(2)3/h5-7,9,12,15-16H,4,8H2,1-3H3
InChIKeyWUMBKHSHRPKCGV-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 112512391) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID112512391
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCCOc1ccc(C(O)CNC(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-17-13-6-5-10(7-11(13)14)12(16)8-15-9(2)3/h5-7,9,12,15-16H,4,8H2,1-3H3
InChIKeyWUMBKHSHRPKCGV-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 13355733
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
CID 112512177
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (CID 112512391) is 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is CCOc1ccc(C(O)CNC(C)C)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is WUMBKHSHRPKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-17-13-6-5-10(7-11(13)14)12(16)8-15-9(2)3/h5-7,9,12,15-16H,4,8H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 112512391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).