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

C13H19ClN2O — CID 67674191

IUPAC(3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CC[C@H](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+/m0/s1
InChIKeyMNDXSNKMGZVRHB-QWHCGFSZSA-N
MW254.76 g/mol
LogP1.67
Rot. Bonds4

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

(3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol (PubChem CID 67674191) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
PubChem CID67674191
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
SMILESCN[C@H](CN1CC[C@H](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+/m0/s1
InChIKeyMNDXSNKMGZVRHB-QWHCGFSZSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol (CID 67674191) is (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol is CN[C@H](CN1CC[C@H](O)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is MNDXSNKMGZVRHB-QWHCGFSZSA-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+/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol?
(3S)-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 (3S)-1-[(2S)-2-(4-chlorophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 67674191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).