2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol

C12H16BrNO — CID 84808877

IUPAC2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
SMILESCc1cc(CC2CCNC2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO/c1-8-4-10(6-11(13)12(8)15)5-9-2-3-14-7-9/h4,6,9,14-15H,2-3,5,7H2,1H3
InChIKeyXZNRPYKZDNYKRV-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.62
Rot. Bonds2

About 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol

2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 84808877) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
PubChem CID84808877
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
SMILESCc1cc(CC2CCNC2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO/c1-8-4-10(6-11(13)12(8)15)5-9-2-3-14-7-9/h4,6,9,14-15H,2-3,5,7H2,1H3
InChIKeyXZNRPYKZDNYKRV-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637
3-bromo-2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84812896
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
3-[(3,5-dimethyl-4-nitrophenyl)methyl]pyrrolidine
CID 84797001
3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
5-bromo-3-(pyrrolidin-3-ylmethyl)benzene-1,2-diol
CID 84809503
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol (CID 84808877) is 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol is Cc1cc(CC2CCNC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is XZNRPYKZDNYKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-4-10(6-11(13)12(8)15)5-9-2-3-14-7-9/h4,6,9,14-15H,2-3,5,7H2,1H3.
What are the key properties of 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol?
2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 270.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 84808877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).