1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol

C13H19F2NO2 — CID 110908139

IUPAC1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
SMILESCOCCCN(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-16(6-3-7-18-2)9-13(17)11-8-10(14)4-5-12(11)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyKWNBCXTUWXDSFU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.97
Rot. Bonds7

About 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol

1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol (PubChem CID 110908139) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
PubChem CID110908139
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
SMILESCOCCCN(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-16(6-3-7-18-2)9-13(17)11-8-10(14)4-5-12(11)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyKWNBCXTUWXDSFU-UHFFFAOYSA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.97
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

1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
CID 114853191
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
1-(2,5-difluorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]ethanol
CID 110897292
methyl (2S)-2-(2,5-difluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95258293
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 107520337
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol (CID 110908139) is 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol is COCCCN(C)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
The InChIKey is KWNBCXTUWXDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-16(6-3-7-18-2)9-13(17)11-8-10(14)4-5-12(11)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol?
1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol has a molecular weight of 259.30 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol is sourced from PubChem (CID 110908139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).