1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol

C13H19ClN2O — CID 57292155

IUPAC1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-15-13(9-16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12?,13-/m1/s1
InChIKeyMNDXSNKMGZVRHB-ZGTCLIOFSA-N
MW254.76 g/mol
LogP1.67
Rot. Bonds4

About 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol

1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol (PubChem CID 57292155) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
PubChem CID57292155
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-15-13(9-16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12?,13-/m1/s1
InChIKeyMNDXSNKMGZVRHB-ZGTCLIOFSA-N
XLogP1.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol (CID 57292155) is 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol is CN[C@H](CN1CCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is MNDXSNKMGZVRHB-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-15-13(9-16-7-6-12(17)8-16)10-2-4-11(14)5-3-10/h2-5,12-13,15,17H,6-9H2,1H3/t12?,13-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol has a molecular weight of 254.76 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 57292155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).