2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol

C12H16BrNO — CID 117428488

IUPAC2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(Br)cc1CC1CCCN1
InChIInChI=1S/C12H16BrNO/c1-8-5-12(15)11(13)7-9(8)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3
InChIKeyQNTQXSMWFHQPPH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.76
Rot. Bonds2

About 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol

2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117428488) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117428488
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCc1cc(O)c(Br)cc1CC1CCCN1
InChIInChI=1S/C12H16BrNO/c1-8-5-12(15)11(13)7-9(8)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3
InChIKeyQNTQXSMWFHQPPH-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol (CID 117428488) is 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol is Cc1cc(O)c(Br)cc1CC1CCCN1.
What is the InChIKey of 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is QNTQXSMWFHQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-12(15)11(13)7-9(8)6-10-3-2-4-14-10/h5,7,10,14-15H,2-4,6H2,1H3.
What are the key properties of 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 270.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117428488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).