2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol

C15H24FNO3 — CID 115958911

IUPAC2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
SMILESCCOCCN(CCOCC)Cc1cccc(F)c1O
InChIInChI=1S/C15H24FNO3/c1-3-19-10-8-17(9-11-20-4-2)12-13-6-5-7-14(16)15(13)18/h5-7,18H,3-4,8-12H2,1-2H3
InChIKeyAXMXWUMRVYDRSK-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.41
Rot. Bonds10

About 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol

2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol (PubChem CID 115958911) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
PubChem CID115958911
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
SMILESCCOCCN(CCOCC)Cc1cccc(F)c1O
InChIInChI=1S/C15H24FNO3/c1-3-19-10-8-17(9-11-20-4-2)12-13-6-5-7-14(16)15(13)18/h5-7,18H,3-4,8-12H2,1-2H3
InChIKeyAXMXWUMRVYDRSK-UHFFFAOYSA-N
XLogP2.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2-chloroethoxy)-N-ethylethanamine
CID 114263767
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-6-fluorophenol
CID 112616142
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol (CID 115958911) is 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol is CCOCCN(CCOCC)Cc1cccc(F)c1O.
What is the InChIKey of 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol?
The InChIKey is AXMXWUMRVYDRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-3-19-10-8-17(9-11-20-4-2)12-13-6-5-7-14(16)15(13)18/h5-7,18H,3-4,8-12H2,1-2H3.
What are the key properties of 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol?
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol has a molecular weight of 285.36 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 115958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).