2-[benzyl(2-fluoroethyl)amino]ethanol

C11H16FNO — CID 80601443

IUPAC2-[benzyl(2-fluoroethyl)amino]ethanol
SMILESOCCN(CCF)Cc1ccccc1
InChIInChI=1S/C11H16FNO/c12-6-7-13(8-9-14)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKeyLOOKWCQIJZKJMC-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.45
Rot. Bonds6

About 2-[benzyl(2-fluoroethyl)amino]ethanol

2-[benzyl(2-fluoroethyl)amino]ethanol (PubChem CID 80601443) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[benzyl(2-fluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(2-fluoroethyl)amino]ethanol
PubChem CID80601443
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[benzyl(2-fluoroethyl)amino]ethanol
SMILESOCCN(CCF)Cc1ccccc1
InChIInChI=1S/C11H16FNO/c12-6-7-13(8-9-14)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKeyLOOKWCQIJZKJMC-UHFFFAOYSA-N
XLogP1.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-fluoroethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(2-fluoroethyl)amino]ethanol (CID 80601443) is 2-[benzyl(2-fluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(2-fluoroethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(2-fluoroethyl)amino]ethanol is OCCN(CCF)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-fluoroethyl)amino]ethanol?
The InChIKey is LOOKWCQIJZKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c12-6-7-13(8-9-14)10-11-4-2-1-3-5-11/h1-5,14H,6-10H2.
What are the key properties of 2-[benzyl(2-fluoroethyl)amino]ethanol?
2-[benzyl(2-fluoroethyl)amino]ethanol has a molecular weight of 197.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-fluoroethyl)amino]ethanol is sourced from PubChem (CID 80601443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).