1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol

C11H24N2O2 — CID 115316928

IUPAC1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC1CNC
InChIInChI=1S/C11H24N2O2/c1-3-15-9-11(14)8-13-6-4-5-10(13)7-12-2/h10-12,14H,3-9H2,1-2H3
InChIKeyJYWKXTBBDWCCDW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds7

About 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol

1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 115316928) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID115316928
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC1CNC
InChIInChI=1S/C11H24N2O2/c1-3-15-9-11(14)8-13-6-4-5-10(13)7-12-2/h10-12,14H,3-9H2,1-2H3
InChIKeyJYWKXTBBDWCCDW-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[1-(ethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 65366865
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine
CID 81093519
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
(2R)-1-ethoxy-3-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95626124

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol (CID 115316928) is 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol is CCOCC(O)CN1CCCC1CNC.
What is the InChIKey of 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is JYWKXTBBDWCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-15-9-11(14)8-13-6-4-5-10(13)7-12-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol?
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 115316928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).