[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol

C13H20FNO2 — CID 114067502

IUPAC[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
SMILESCCOCCN(CC)c1c(F)cccc1CO
InChIInChI=1S/C13H20FNO2/c1-3-15(8-9-17-4-2)13-11(10-16)6-5-7-12(13)14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyCBXIFTRBMWGDST-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.18
Rot. Bonds7

About [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol

[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol (PubChem CID 114067502) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
PubChem CID114067502
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
SMILESCCOCCN(CC)c1c(F)cccc1CO
InChIInChI=1S/C13H20FNO2/c1-3-15(8-9-17-4-2)13-11(10-16)6-5-7-12(13)14/h5-7,16H,3-4,8-10H2,1-2H3
InChIKeyCBXIFTRBMWGDST-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.18
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-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 114067470
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882
8-N-(2-ethoxyethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
CID 83165159
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63698104
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63691026
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
CID 82939297
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732

Frequently Asked Questions

What is the IUPAC name of [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol?
The IUPAC name of [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol (CID 114067502) is [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol is CCOCCN(CC)c1c(F)cccc1CO.
What is the InChIKey of [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol?
The InChIKey is CBXIFTRBMWGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-15(8-9-17-4-2)13-11(10-16)6-5-7-12(13)14/h5-7,16H,3-4,8-10H2,1-2H3.
What are the key properties of [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol?
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol has a molecular weight of 241.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol is sourced from PubChem (CID 114067502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).