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

C13H21NO3 — CID 103602722

IUPAC2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-2-13(9-15,10-16)14-8-12(17)11-6-4-3-5-7-11/h3-7,12,14-17H,2,8-10H2,1H3
InChIKeyKTKPFBIGPYBOAX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.44
Rot. Bonds7

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

2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol (PubChem CID 103602722) has the molecular formula C13H21NO3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
PubChem CID103602722
Molecular FormulaC13H21NO3
Molecular Weight239.32 g/mol
Exact Mass239.15
IUPAC Name2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)NCC(O)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-2-13(9-15,10-16)14-8-12(17)11-6-4-3-5-7-11/h3-7,12,14-17H,2,8-10H2,1H3
InChIKeyKTKPFBIGPYBOAX-UHFFFAOYSA-N
XLogP0.44
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propane-1,3-diol
CID 107865261
4-[1-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]ethyl]benzonitrile
CID 62516918
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-2-ethylbutan-1-ol
CID 62517096
3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
CID 65111204
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
CID 65041354
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol (CID 103602722) is 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol is CCC(CO)(CO)NCC(O)c1ccccc1.
What is the InChIKey of 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol?
The InChIKey is KTKPFBIGPYBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-13(9-15,10-16)14-8-12(17)11-6-4-3-5-7-11/h3-7,12,14-17H,2,8-10H2,1H3.
What are the key properties of 2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol?
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol has a molecular weight of 239.32 g/mol, XLogP of 0.44, 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-phenylethyl)amino]propane-1,3-diol is sourced from PubChem (CID 103602722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).