methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate

C12H16BrNO2 — CID 60705715

IUPACmethyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(12(15)16-3)14(2)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyQWATYMZHLKKVJM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.44
Rot. Bonds4

About methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate

methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate (PubChem CID 60705715) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
PubChem CID60705715
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)Cc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(12(15)16-3)14(2)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyQWATYMZHLKKVJM-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate 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-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
CID 55430697
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
methyl 3-[(2-bromophenyl)methylamino]-2-methylbutanoate
CID 79392282

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate?
The IUPAC name of methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate (CID 60705715) is methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate is COC(=O)C(C)N(C)Cc1ccccc1Br.
What is the InChIKey of methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate?
The InChIKey is QWATYMZHLKKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(12(15)16-3)14(2)8-10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate?
methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate has a molecular weight of 286.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate is sourced from PubChem (CID 60705715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).