(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol

C18H19BrClNO — CID 156560223

IUPAC(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C18H19BrClNO/c19-17-3-1-2-16(18(17)20)14-6-4-13(5-7-14)8-10-21-11-9-15(22)12-21/h1-7,15,22H,8-12H2/t15-/m1/s1
InChIKeyLXEHXIHGPVJGRC-OAHLLOKOSA-N
MW380.71 g/mol
LogP4.38
Rot. Bonds4

About (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol

(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol (PubChem CID 156560223) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol
PubChem CID156560223
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC Name(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CCc2ccc(-c3cccc(Br)c3Cl)cc2)C1
InChIInChI=1S/C18H19BrClNO/c19-17-3-1-2-16(18(17)20)14-6-4-13(5-7-14)8-10-21-11-9-15(22)12-21/h1-7,15,22H,8-12H2/t15-/m1/s1
InChIKeyLXEHXIHGPVJGRC-OAHLLOKOSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]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

Related Compounds

2-[[4-(3-Bromo-2-chlorophenyl)phenyl]methyl-methylamino]ethanol
CID 156560186
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]-N-methyl-2-[(3S)-oxolan-3-yl]oxyethanamine
CID 156560187
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol (CID 156560223) is (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol is O[C@@H]1CCN(CCc2ccc(-c3cccc(Br)c3Cl)cc2)C1.
What is the InChIKey of (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol?
The InChIKey is LXEHXIHGPVJGRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19BrClNO/c19-17-3-1-2-16(18(17)20)14-6-4-13(5-7-14)8-10-21-11-9-15(22)12-21/h1-7,15,22H,8-12H2/t15-/m1/s1.
What are the key properties of (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol?
(3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol has a molecular weight of 380.71 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[4-(3-bromo-2-chlorophenyl)phenyl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 156560223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).