1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol

C18H26BrNO — CID 62623121

IUPAC1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
SMILESOC(CCN1CCCC1C1CCCC1)c1ccccc1Br
InChIInChI=1S/C18H26BrNO/c19-16-9-4-3-8-15(16)18(21)11-13-20-12-5-10-17(20)14-6-1-2-7-14/h3-4,8-9,14,17-18,21H,1-2,5-7,10-13H2
InChIKeyCWJTWHODOAMGTD-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.53
Rot. Bonds5

About 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol

1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol (PubChem CID 62623121) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
PubChem CID62623121
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
SMILESOC(CCN1CCCC1C1CCCC1)c1ccccc1Br
InChIInChI=1S/C18H26BrNO/c19-16-9-4-3-8-15(16)18(21)11-13-20-12-5-10-17(20)14-6-1-2-7-14/h3-4,8-9,14,17-18,21H,1-2,5-7,10-13H2
InChIKeyCWJTWHODOAMGTD-UHFFFAOYSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-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-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-ol
CID 62624211
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
benzene;2-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanol
CID 143494141

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol (CID 62623121) is 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol is OC(CCN1CCCC1C1CCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is CWJTWHODOAMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c19-16-9-4-3-8-15(16)18(21)11-13-20-12-5-10-17(20)14-6-1-2-7-14/h3-4,8-9,14,17-18,21H,1-2,5-7,10-13H2.
What are the key properties of 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol?
1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 352.32 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 62623121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).