2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

C15H21BrN2O2 — CID 61389734

IUPAC2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCNCc1cccc(Br)c1OC(C)C(=O)N1CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(15(19)18-8-3-4-9-18)20-14-12(10-17-2)6-5-7-13(14)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyBPQZTWKJIBYXBL-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 61389734) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID61389734
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCNCc1cccc(Br)c1OC(C)C(=O)N1CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-11(15(19)18-8-3-4-9-18)20-14-12(10-17-2)6-5-7-13(14)16/h5-7,11,17H,3-4,8-10H2,1-2H3
InChIKeyBPQZTWKJIBYXBL-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one 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-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 171396270
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
2-(2-bromo-6-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 81495745
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107686495
2-[3-[1-(methylamino)ethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43279861

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 61389734) is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is CNCc1cccc(Br)c1OC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BPQZTWKJIBYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(15(19)18-8-3-4-9-18)20-14-12(10-17-2)6-5-7-13(14)16/h5-7,11,17H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 61389734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).