2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid

C16H16BrNO2 — CID 60994633

IUPAC2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
SMILESCc1cccc(NC(C)(C(=O)O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-16(2,15(19)20)13-8-3-4-9-14(13)17/h3-10,18H,1-2H3,(H,19,20)
InChIKeyIRVNXHFYAJXKGZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.17
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid

2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid (PubChem CID 60994633) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
PubChem CID60994633
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
SMILESCc1cccc(NC(C)(C(=O)O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-16(2,15(19)20)13-8-3-4-9-14(13)17/h3-10,18H,1-2H3,(H,19,20)
InChIKeyIRVNXHFYAJXKGZ-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
CID 60990617
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60992830
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
1-(3-methylanilino)ethane-1,1-diol
CID 54318921

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid?
The IUPAC name of 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid (CID 60994633) is 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid is Cc1cccc(NC(C)(C(=O)O)c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid?
The InChIKey is IRVNXHFYAJXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-5-7-12(10-11)18-16(2,15(19)20)13-8-3-4-9-14(13)17/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid?
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid has a molecular weight of 334.21 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid is sourced from PubChem (CID 60994633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).