4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol

C13H18BrNO — CID 84812962

IUPAC4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCN2)c(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-8-6-12(16)11(9(2)13(8)14)7-10-4-3-5-15-10/h6,10,15-16H,3-5,7H2,1-2H3
InChIKeyJQKMFHXSWSUOIZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.07
Rot. Bonds2

About 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol

4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 84812962) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID84812962
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(CC2CCCN2)c(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-8-6-12(16)11(9(2)13(8)14)7-10-4-3-5-15-10/h6,10,15-16H,3-5,7H2,1-2H3
InChIKeyJQKMFHXSWSUOIZ-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol 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

2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2-bromo-3,5-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117471512
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol (CID 84812962) is 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol is Cc1cc(O)c(CC2CCCN2)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is JQKMFHXSWSUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8-6-12(16)11(9(2)13(8)14)7-10-4-3-5-15-10/h6,10,15-16H,3-5,7H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol?
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 284.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 84812962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).