2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol

C15H25NO2 — CID 114010508

IUPAC2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-5-15(9-17,10-18)16-8-14-12(3)6-11(2)7-13(14)4/h6-7,16-18H,5,8-10H2,1-4H3
InChIKeyQUFJPUVJOPLQFL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds6

About 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol

2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol (PubChem CID 114010508) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol
PubChem CID114010508
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2/c1-5-15(9-17,10-18)16-8-14-12(3)6-11(2)7-13(14)4/h6-7,16-18H,5,8-10H2,1-4H3
InChIKeyQUFJPUVJOPLQFL-UHFFFAOYSA-N
XLogP1.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-Propanediol, 2-methyl-2-((4-pyrenylmethyl)amino)-, hydrochloride
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1,3-Propanediol, 2-methyl-2-((4-phenanthrenylmethyl)amino)-, hydrochloride
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1,3-Propanediol, 2-methyl-2-((9-phenanthrenylmethyl)amino)-, hydrochloride
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1,3-Propanediol, 2-methyl-2-((2-phenanthrenylmethyl)amino)-, hydrochloride
CID 150419
1,3-Propanediol, 2-((1-anthracenylmethyl)amino)-2-methyl-, hydrochloride
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1,3-Propanediol, 2-methyl-2-((2-triphenylenylmethyl)amino)-, hydrochloride, hydrate (2:2:1)
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol (CID 114010508) is 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol?
The InChIKey is QUFJPUVJOPLQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(9-17,10-18)16-8-14-12(3)6-11(2)7-13(14)4/h6-7,16-18H,5,8-10H2,1-4H3.
What are the key properties of 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol?
2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol has a molecular weight of 251.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,4,6-trimethylphenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 114010508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).