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

C5H13NO2 — CID 20789163

IUPAC1-methoxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COC
InChIInChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3
InChIKeyFQPOLOTYYAEFEQ-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.79
Rot. Bonds4

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

1-methoxy-3-(methylamino)propan-2-ol (PubChem CID 20789163) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-methoxy-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(methylamino)propan-2-ol
PubChem CID20789163
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-methoxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COC
InChIInChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3
InChIKeyFQPOLOTYYAEFEQ-UHFFFAOYSA-N
XLogP-0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(methylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(methylamino)propan-2-ol (CID 20789163) is 1-methoxy-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(methylamino)propan-2-ol is CNCC(O)COC.
What is the InChIKey of 1-methoxy-3-(methylamino)propan-2-ol?
The InChIKey is FQPOLOTYYAEFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-(methylamino)propan-2-ol?
1-methoxy-3-(methylamino)propan-2-ol has a molecular weight of 119.16 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(methylamino)propan-2-ol is sourced from PubChem (CID 20789163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).