methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate

C17H18BrNO2 — CID 60992627

IUPACmethyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1C)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3
InChIKeyDTOBIORPOFQZBA-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds4

About methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate

methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate (PubChem CID 60992627) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
PubChem CID60992627
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Namemethyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1C)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3
InChIKeyDTOBIORPOFQZBA-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-bromophenyl)-2-(2-methylanilino)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-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
methyl 2-(2-bromoanilino)-2-(4-fluorophenyl)propanoate
CID 60994120
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
methyl 4-amino-2-(3-bromophenyl)-2-methylbutanoate
CID 158531044
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate (CID 60992627) is methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate is COC(=O)C(C)(Nc1ccccc1C)c1cccc(Br)c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate?
The InChIKey is DTOBIORPOFQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-7-4-5-10-15(12)19-17(2,16(20)21-3)13-8-6-9-14(18)11-13/h4-11,19H,1-3H3.
What are the key properties of methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate?
methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate has a molecular weight of 348.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate is sourced from PubChem (CID 60992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).