1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H23ClN2O2 — CID 66053197

IUPAC1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-17(2)10-12-9-13(19)11-18(12)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11H2,1-2H3
InChIKeySNHUSYXWTJRMIR-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053197) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053197
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-17(2)10-12-9-13(19)11-18(12)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11H2,1-2H3
InChIKeySNHUSYXWTJRMIR-UHFFFAOYSA-N
XLogP1.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053197) is 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is SNHUSYXWTJRMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-17(2)10-12-9-13(19)11-18(12)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 298.81 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).