2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid

C18H21NO3 — CID 167770888

IUPAC2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid
SMILESCN(C)CCc1ccc(-c2ccc(C(O)C(=O)O)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-19(2)12-11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(20)18(21)22/h3-10,17,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyNTLACDARZPRUBP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid

2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 167770888) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID167770888
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid
SMILESCN(C)CCc1ccc(-c2ccc(C(O)C(=O)O)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-19(2)12-11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(20)18(21)22/h3-10,17,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyNTLACDARZPRUBP-UHFFFAOYSA-N
XLogP2.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-[4-[2-(dimethylamino)ethyl]phenyl]butanoic acid
CID 117379638
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
2-[4-(fluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117279701
2-hydroxy-2-[4-(3-methoxy-3-methylbutyl)phenyl]acetic acid
CID 117108518
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
1,2-dihydroxypropane-1,2,3-tricarboxylic acid;4-[2-(dimethylamino)ethyl]phenol
CID 69443916
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
CID 59327691
CID 59327691
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid (CID 167770888) is 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid is CN(C)CCc1ccc(-c2ccc(C(O)C(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is NTLACDARZPRUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(2)12-11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17(20)18(21)22/h3-10,17,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid?
2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 167770888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).