3-bromo-4-(2-methylpyrrolidin-2-yl)phenol

C11H14BrNO — CID 82623381

IUPAC3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2ccc(O)cc2Br)CCCN1
InChIInChI=1S/C11H14BrNO/c1-11(5-2-6-13-11)9-4-3-8(14)7-10(9)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyQFAVSNKPDGOOOO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.75
Rot. Bonds1

About 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol

3-bromo-4-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 82623381) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
PubChem CID82623381
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2ccc(O)cc2Br)CCCN1
InChIInChI=1S/C11H14BrNO/c1-11(5-2-6-13-11)9-4-3-8(14)7-10(9)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyQFAVSNKPDGOOOO-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Pyrrolidin-2-yl)phenol hydrobromide
CID 45792154
4-[[1-(4-Bromophenyl)ethylamino]methyl]phenol
CID 22415934
4-{[1-(4-Bromophenyl)ethyl]aminomethyl}phenol
CID 54275254
4-[2-(Methylamino)propan-2-yl]phenol
CID 82596863
4-(Pyrrolidin-2-yl)phenol
CID 20119700
4-[1-[(2-Bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
4-[1-[(2-Bromo-5-fluorophenyl)methylamino]propyl]phenol
CID 61016007
4-[[1-(2-Bromophenyl)ethylamino]methyl]-2,6-difluorophenol
CID 79832452
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
CID 81378841
4-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
CID 81383099
2-Bromo-6-fluoro-4-pyrrolidin-2-ylphenol
CID 84045807
2-Bromo-3-fluoro-4-pyrrolidin-2-ylphenol
CID 84045809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol (CID 82623381) is 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol is CC1(c2ccc(O)cc2Br)CCCN1.
What is the InChIKey of 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is QFAVSNKPDGOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(5-2-6-13-11)9-4-3-8(14)7-10(9)12/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol?
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 256.14 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 82623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).