1-[2-hydroxyethyl(methyl)amino]propan-2-ol

C6H15NO2 — CID 13397348

IUPAC1-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CCO
InChIInChI=1S/C6H15NO2/c1-6(9)5-7(2)3-4-8/h6,8-9H,3-5H2,1-2H3
InChIKeyCRJALRGNJLMCAQ-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.71
Rot. Bonds4

About 1-[2-hydroxyethyl(methyl)amino]propan-2-ol

1-[2-hydroxyethyl(methyl)amino]propan-2-ol (PubChem CID 13397348) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]propan-2-ol
PubChem CID13397348
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CCO
InChIInChI=1S/C6H15NO2/c1-6(9)5-7(2)3-4-8/h6,8-9H,3-5H2,1-2H3
InChIKeyCRJALRGNJLMCAQ-UHFFFAOYSA-N
XLogP-0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]propan-2-ol (CID 13397348) is 1-[2-hydroxyethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]propan-2-ol is CC(O)CN(C)CCO.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The InChIKey is CRJALRGNJLMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(9)5-7(2)3-4-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]propan-2-ol?
1-[2-hydroxyethyl(methyl)amino]propan-2-ol has a molecular weight of 133.19 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 13397348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).