2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid

C19H24N2O2 — CID 110452209

IUPAC2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,18(22)23)16-7-5-6-8-17(16)20-13-14-9-11-15(12-10-14)21(3)4/h5-12,20H,13H2,1-4H3,(H,22,23)
InChIKeyUGTYYSYPTIQVIB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.73
Rot. Bonds6

About 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid

2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid (PubChem CID 110452209) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
PubChem CID110452209
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,18(22)23)16-7-5-6-8-17(16)20-13-14-9-11-15(12-10-14)21(3)4/h5-12,20H,13H2,1-4H3,(H,22,23)
InChIKeyUGTYYSYPTIQVIB-UHFFFAOYSA-N
XLogP3.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452270
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
CID 82539391
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452184
N-[[4-(dimethylamino)phenyl]methyl]-2-methylsulfonylaniline
CID 43232226
2-[2-(3-hydroxypropylamino)phenyl]-2-methylpropanoic acid
CID 82539740
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
CID 82539674
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid (CID 110452209) is 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid is CN(C)c1ccc(CNc2ccccc2C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is UGTYYSYPTIQVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,18(22)23)16-7-5-6-8-17(16)20-13-14-9-11-15(12-10-14)21(3)4/h5-12,20H,13H2,1-4H3,(H,22,23).
What are the key properties of 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid?
2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 312.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 110452209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).