2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol

C6H15NO3 — CID 54389246

IUPAC2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)OCCO
InChIInChI=1S/C6H15NO3/c1-7-4-6(5-9)10-3-2-8/h6-9H,2-5H2,1H3
InChIKeyLBVBZQDEJNLQFL-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.42
Rot. Bonds6

About 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol

2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol (PubChem CID 54389246) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol
PubChem CID54389246
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)OCCO
InChIInChI=1S/C6H15NO3/c1-7-4-6(5-9)10-3-2-8/h6-9H,2-5H2,1H3
InChIKeyLBVBZQDEJNLQFL-UHFFFAOYSA-N
XLogP-1.42
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol?
The IUPAC name of 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol (CID 54389246) is 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol?
The canonical SMILES for 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol is CNCC(CO)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol?
The InChIKey is LBVBZQDEJNLQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-7-4-6(5-9)10-3-2-8/h6-9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol?
2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol has a molecular weight of 149.19 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 54389246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).