2-bromo-6-(pyrrolidin-1-ylmethyl)phenol

C11H14BrNO — CID 78916446

IUPAC2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1c(Br)cccc1CN1CCCC1
InChIInChI=1S/C11H14BrNO/c12-10-5-3-4-9(11(10)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2
InChIKeyFNDFQEPJJPRLAG-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.75
Rot. Bonds2

About 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol

2-bromo-6-(pyrrolidin-1-ylmethyl)phenol (PubChem CID 78916446) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
PubChem CID78916446
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1c(Br)cccc1CN1CCCC1
InChIInChI=1S/C11H14BrNO/c12-10-5-3-4-9(11(10)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2
InChIKeyFNDFQEPJJPRLAG-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 82974919
1-[4-[(3-bromo-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 82986155
2-bromo-6-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 82981234
2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
CID 82986532
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
CID 83057106
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 171396270
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
2-bromo-6-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 61390907
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-6-bromophenol
CID 61390738
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol?
The IUPAC name of 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol (CID 78916446) is 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol?
The canonical SMILES for 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol is Oc1c(Br)cccc1CN1CCCC1.
What is the InChIKey of 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol?
The InChIKey is FNDFQEPJJPRLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-5-3-4-9(11(10)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2.
What are the key properties of 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol?
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol has a molecular weight of 256.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(pyrrolidin-1-ylmethyl)phenol is sourced from PubChem (CID 78916446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).