2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol

C17H23NO3 — CID 107865261

IUPAC2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO3/c1-2-17(11-19,12-20)18-10-16(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16,18-21H,2,10-12H2,1H3
InChIKeyLEJCQOBOGGNBOZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds7

About 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol

2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol (PubChem CID 107865261) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
PubChem CID107865261
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO3/c1-2-17(11-19,12-20)18-10-16(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16,18-21H,2,10-12H2,1H3
InChIKeyLEJCQOBOGGNBOZ-UHFFFAOYSA-N
XLogP1.60
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol (CID 107865261) is 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol is CCC(CO)(CO)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol?
The InChIKey is LEJCQOBOGGNBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-17(11-19,12-20)18-10-16(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16,18-21H,2,10-12H2,1H3.
What are the key properties of 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol?
2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol has a molecular weight of 289.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol is sourced from PubChem (CID 107865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).