3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C15H22BrNO — CID 83921882

IUPAC3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1cc(Br)c(C(CCO)N2CCCC2)cc1C
InChIInChI=1S/C15H22BrNO/c1-11-9-13(14(16)10-12(11)2)15(5-8-18)17-6-3-4-7-17/h9-10,15,18H,3-8H2,1-2H3
InChIKeyYRLOXIVLHNSJGZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.59
Rot. Bonds4

About 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83921882) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83921882
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1cc(Br)c(C(CCO)N2CCCC2)cc1C
InChIInChI=1S/C15H22BrNO/c1-11-9-13(14(16)10-12(11)2)15(5-8-18)17-6-3-4-7-17/h9-10,15,18H,3-8H2,1-2H3
InChIKeyYRLOXIVLHNSJGZ-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-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

(3R)-3-(2-bromo-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189101
(3S)-3-(2-bromo-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189509
3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83937613
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189768
3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83941206
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
(3R)-3-(2,5-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189349
2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102838255
2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
CID 116860112

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83921882) is 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is Cc1cc(Br)c(C(CCO)N2CCCC2)cc1C.
What is the InChIKey of 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is YRLOXIVLHNSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11-9-13(14(16)10-12(11)2)15(5-8-18)17-6-3-4-7-17/h9-10,15,18H,3-8H2,1-2H3.
What are the key properties of 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83921882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).