2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol

C13H20FNO2 — CID 103935636

IUPAC2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-3-13(8-16,9-17)15-10(2)11-4-6-12(14)7-5-11/h4-7,10,15-17H,3,8-9H2,1-2H3
InChIKeyNASXWCLJLCVWEU-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.61
Rot. Bonds6

About 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol

2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol (PubChem CID 103935636) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
PubChem CID103935636
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NC(C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-3-13(8-16,9-17)15-10(2)11-4-6-12(14)7-5-11/h4-7,10,15-17H,3,8-9H2,1-2H3
InChIKeyNASXWCLJLCVWEU-UHFFFAOYSA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722
2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 62517490
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2-(hydroxymethyl)-2-[1-(4-nitrophenyl)ethylamino]propane-1,3-diol
CID 107850371
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64789337
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-butan-2-yl-4-fluorobenzene
CID 11829648
5-[1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 107866396
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
2-(4-fluorophenyl)-3-methylpentan-3-ol
CID 54465662
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol (CID 103935636) is 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol is CCC(CO)(CO)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol?
The InChIKey is NASXWCLJLCVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-13(8-16,9-17)15-10(2)11-4-6-12(14)7-5-11/h4-7,10,15-17H,3,8-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol?
2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol has a molecular weight of 241.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 103935636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).