(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

C17H25BrN2O2 — CID 51963960

IUPAC(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)CN1CCC[C@H]1c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O2/c18-15-4-1-3-14(11-15)17-5-2-6-20(17)13-16(21)12-19-7-9-22-10-8-19/h1,3-4,11,16-17,21H,2,5-10,12-13H2/t16-,17+/m1/s1
InChIKeyIBWHHZNUAPBVIN-SJORKVTESA-N
MW369.30 g/mol
LogP2.28
Rot. Bonds5

About (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 51963960) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID51963960
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)CN1CCC[C@H]1c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O2/c18-15-4-1-3-14(11-15)17-5-2-6-20(17)13-16(21)12-19-7-9-22-10-8-19/h1,3-4,11,16-17,21H,2,5-10,12-13H2/t16-,17+/m1/s1
InChIKeyIBWHHZNUAPBVIN-SJORKVTESA-N
XLogP2.28
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-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

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110883592
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272
(2R)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51927197
(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 124618147
2-[[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94424083
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
5-[[2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 55828808
(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 51086639
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 55839341
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 51963960) is (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is O[C@H](CN1CCOCC1)CN1CCC[C@H]1c1cccc(Br)c1.
What is the InChIKey of (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IBWHHZNUAPBVIN-SJORKVTESA-N. The full InChI is InChI=1S/C17H25BrN2O2/c18-15-4-1-3-14(11-15)17-5-2-6-20(17)13-16(21)12-19-7-9-22-10-8-19/h1,3-4,11,16-17,21H,2,5-10,12-13H2/t16-,17+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 369.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 51963960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).