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

C11H14BrNO2 — CID 60691069

IUPACmethyl 2-[(2-bromophenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(11(14)15-2)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3
InChIKeyPFOVCLUHCTZLPD-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.10
Rot. Bonds4

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

methyl 2-[(2-bromophenyl)methylamino]propanoate (PubChem CID 60691069) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is methyl 2-[(2-bromophenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromophenyl)methylamino]propanoate
PubChem CID60691069
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Namemethyl 2-[(2-bromophenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-8(11(14)15-2)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3
InChIKeyPFOVCLUHCTZLPD-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-bromophenyl)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

methyl 3-[(2-bromophenyl)methylamino]-2-methylbutanoate
CID 79392282
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
CID 142473435
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
(2S,3S)-2-[(2-bromophenyl)methylamino]-3-methylpentanoic acid
CID 120510398
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromophenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(2-bromophenyl)methylamino]propanoate (CID 60691069) is methyl 2-[(2-bromophenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-bromophenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(2-bromophenyl)methylamino]propanoate is COC(=O)C(C)NCc1ccccc1Br.
What is the InChIKey of methyl 2-[(2-bromophenyl)methylamino]propanoate?
The InChIKey is PFOVCLUHCTZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(11(14)15-2)13-7-9-5-3-4-6-10(9)12/h3-6,8,13H,7H2,1-2H3.
What are the key properties of methyl 2-[(2-bromophenyl)methylamino]propanoate?
methyl 2-[(2-bromophenyl)methylamino]propanoate has a molecular weight of 272.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromophenyl)methylamino]propanoate is sourced from PubChem (CID 60691069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).