2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid

C16H17NO2 — CID 82107346

IUPAC2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
SMILESCN(C)c1ccccc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)15-6-4-3-5-14(15)13-9-7-12(8-10-13)11-16(18)19/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyUQSXIZGOBNNDCE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid

2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid (PubChem CID 82107346) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
PubChem CID82107346
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
SMILESCN(C)c1ccccc1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H17NO2/c1-17(2)15-6-4-3-5-14(15)13-9-7-12(8-10-13)11-16(18)19/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyUQSXIZGOBNNDCE-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid 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

4-[4-[2-(dimethylamino)phenyl]phenyl]-4-oxobutanoic acid
CID 82107384
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
2-(dimethylamino)ethanol;2-(4-phenylphenyl)acetic acid
CID 174946670
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
5-[2-(dimethylamino)phenyl]pyridine-2-carboxylic acid
CID 50998545
(1E,4E)-1,5-bis[4-[2-(dimethylamino)phenyl]phenyl]penta-1,4-dien-3-one
CID 66673920
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid (CID 82107346) is 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid is CN(C)c1ccccc1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid?
The InChIKey is UQSXIZGOBNNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)15-6-4-3-5-14(15)13-9-7-12(8-10-13)11-16(18)19/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid?
2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid is sourced from PubChem (CID 82107346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).