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

C18H22N2O2 — CID 15373870

IUPAC2,2-bis[4-(dimethylamino)phenyl]acetic acid
SMILESCN(C)c1ccc(C(C(=O)O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19(2)15-9-5-13(6-10-15)17(18(21)22)14-7-11-16(12-8-14)20(3)4/h5-12,17H,1-4H3,(H,21,22)
InChIKeyIVKHPDYIDJKBIZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.04
Rot. Bonds5

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

2,2-bis[4-(dimethylamino)phenyl]acetic acid (PubChem CID 15373870) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]acetic acid
PubChem CID15373870
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]acetic acid
SMILESCN(C)c1ccc(C(C(=O)O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-19(2)15-9-5-13(6-10-15)17(18(21)22)14-7-11-16(12-8-14)20(3)4/h5-12,17H,1-4H3,(H,21,22)
InChIKeyIVKHPDYIDJKBIZ-UHFFFAOYSA-N
XLogP3.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]acetic acid?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]acetic acid (CID 15373870) is 2,2-bis[4-(dimethylamino)phenyl]acetic acid.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]acetic acid?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]acetic acid is CN(C)c1ccc(C(C(=O)O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]acetic acid?
The InChIKey is IVKHPDYIDJKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19(2)15-9-5-13(6-10-15)17(18(21)22)14-7-11-16(12-8-14)20(3)4/h5-12,17H,1-4H3,(H,21,22).
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]acetic acid?
2,2-bis[4-(dimethylamino)phenyl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]acetic acid is sourced from PubChem (CID 15373870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).