2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol

C26H29ClN2O — CID 19974908

IUPAC2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(C(c2ccccc2)c2ccccc2)C1NCc1ccccc1Cl
InChIInChI=1S/C26H29ClN2O/c27-23-14-8-7-13-21(23)17-28-25-22(15-16-30)18-29-26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24-26,28-30H,15-18H2
InChIKeyKJSVSNJOSVFTFM-UHFFFAOYSA-N
MW420.98 g/mol
LogP4.60
Rot. Bonds8

About 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol

2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol (PubChem CID 19974908) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol
PubChem CID19974908
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(C(c2ccccc2)c2ccccc2)C1NCc1ccccc1Cl
InChIInChI=1S/C26H29ClN2O/c27-23-14-8-7-13-21(23)17-28-25-22(15-16-30)18-29-26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24-26,28-30H,15-18H2
InChIKeyKJSVSNJOSVFTFM-UHFFFAOYSA-N
XLogP4.60
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol 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 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol (CID 19974908) is 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol is OCCC1CNC(C(c2ccccc2)c2ccccc2)C1NCc1ccccc1Cl.
What is the InChIKey of 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol?
The InChIKey is KJSVSNJOSVFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O/c27-23-14-8-7-13-21(23)17-28-25-22(15-16-30)18-29-26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22,24-26,28-30H,15-18H2.
What are the key properties of 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol?
2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol has a molecular weight of 420.98 g/mol, XLogP of 4.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzhydryl-4-[(2-chlorophenyl)methylamino]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 19974908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).