2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid

C19H23NO4 — CID 110452270

IUPAC2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1OC
InChIInChI=1S/C19H23NO4/c1-19(2,18(21)22)14-7-5-6-8-15(14)20-12-13-9-10-16(23-3)17(11-13)24-4/h5-11,20H,12H2,1-4H3,(H,21,22)
InChIKeyFOZLVEJVSCIJKZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.68
Rot. Bonds7

About 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid

2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid (PubChem CID 110452270) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
PubChem CID110452270
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
SMILESCOc1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1OC
InChIInChI=1S/C19H23NO4/c1-19(2,18(21)22)14-7-5-6-8-15(14)20-12-13-9-10-16(23-3)17(11-13)24-4/h5-11,20H,12H2,1-4H3,(H,21,22)
InChIKeyFOZLVEJVSCIJKZ-UHFFFAOYSA-N
XLogP3.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985894
3-[(3,4-dimethoxyphenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265256
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643968
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[(3-bromo-4-methoxyphenyl)methylamino]benzoic acid
CID 43774574
methyl 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzoate
CID 75490689
1-benzyl-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 8669526
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid (CID 110452270) is 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid is COc1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1OC.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is FOZLVEJVSCIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,18(21)22)14-7-5-6-8-15(14)20-12-13-9-10-16(23-3)17(11-13)24-4/h5-11,20H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid?
2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 110452270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).