1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol

C13H20FNO2 — CID 114525691

IUPAC1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1OCCCN(C)C
InChIInChI=1S/C13H20FNO2/c1-10(16)12-9-11(14)5-6-13(12)17-8-4-7-15(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyXTTKMYSYEFGCAP-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.21
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol

1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol (PubChem CID 114525691) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
PubChem CID114525691
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1OCCCN(C)C
InChIInChI=1S/C13H20FNO2/c1-10(16)12-9-11(14)5-6-13(12)17-8-4-7-15(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyXTTKMYSYEFGCAP-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide
CID 146554456
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol (CID 114525691) is 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1OCCCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol?
The InChIKey is XTTKMYSYEFGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(16)12-9-11(14)5-6-13(12)17-8-4-7-15(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol?
1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol has a molecular weight of 241.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol is sourced from PubChem (CID 114525691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).