1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol

C10H21NO2 — CID 167259963

IUPAC1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCCOCC(O)CC1CCN(C)C1
InChIInChI=1S/C10H21NO2/c1-3-13-8-10(12)6-9-4-5-11(2)7-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDHRVOWWZEHVWQM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.73
Rot. Bonds5

About 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol

1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol (PubChem CID 167259963) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
PubChem CID167259963
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCCOCC(O)CC1CCN(C)C1
InChIInChI=1S/C10H21NO2/c1-3-13-8-10(12)6-9-4-5-11(2)7-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDHRVOWWZEHVWQM-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 107263880
1-ethoxypentan-2-ol
CID 21201051
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol (CID 167259963) is 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol is CCOCC(O)CC1CCN(C)C1.
What is the InChIKey of 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is DHRVOWWZEHVWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-13-8-10(12)6-9-4-5-11(2)7-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol?
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 167259963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).