1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol

C16H26FNO3 — CID 82939297

IUPAC1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
SMILESCCOCCN(CCOCC)c1cccc(F)c1C(C)O
InChIInChI=1S/C16H26FNO3/c1-4-20-11-9-18(10-12-21-5-2)15-8-6-7-14(17)16(15)13(3)19/h6-8,13,19H,4-5,9-12H2,1-3H3
InChIKeyQYBRKSBNUUBMHG-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.76
Rot. Bonds10

About 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol

1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol (PubChem CID 82939297) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
PubChem CID82939297
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol
SMILESCCOCCN(CCOCC)c1cccc(F)c1C(C)O
InChIInChI=1S/C16H26FNO3/c1-4-20-11-9-18(10-12-21-5-2)15-8-6-7-14(17)16(15)13(3)19/h6-8,13,19H,4-5,9-12H2,1-3H3
InChIKeyQYBRKSBNUUBMHG-UHFFFAOYSA-N
XLogP2.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
2-[bis(2-ethoxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 82960777
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol (CID 82939297) is 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol is CCOCCN(CCOCC)c1cccc(F)c1C(C)O.
What is the InChIKey of 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is QYBRKSBNUUBMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-4-20-11-9-18(10-12-21-5-2)15-8-6-7-14(17)16(15)13(3)19/h6-8,13,19H,4-5,9-12H2,1-3H3.
What are the key properties of 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol?
1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 299.39 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-ethoxyethyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 82939297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).