[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol

C13H19F2NO2 — CID 55226530

IUPAC[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
SMILESCCOCCN(CC)c1c(F)cc(CO)cc1F
InChIInChI=1S/C13H19F2NO2/c1-3-16(5-6-18-4-2)13-11(14)7-10(9-17)8-12(13)15/h7-8,17H,3-6,9H2,1-2H3
InChIKeyXLDCJXMWJGHGKV-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.32
Rot. Bonds7

About [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol

[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol (PubChem CID 55226530) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
PubChem CID55226530
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
SMILESCCOCCN(CC)c1c(F)cc(CO)cc1F
InChIInChI=1S/C13H19F2NO2/c1-3-16(5-6-18-4-2)13-11(14)7-10(9-17)8-12(13)15/h7-8,17H,3-6,9H2,1-2H3
InChIKeyXLDCJXMWJGHGKV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol (CID 55226530) is [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol is CCOCCN(CC)c1c(F)cc(CO)cc1F.
What is the InChIKey of [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol?
The InChIKey is XLDCJXMWJGHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-16(5-6-18-4-2)13-11(14)7-10(9-17)8-12(13)15/h7-8,17H,3-6,9H2,1-2H3.
What are the key properties of [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol?
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol has a molecular weight of 259.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 55226530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).