2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid

C19H24N2O3 — CID 22411851

IUPAC2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid
SMILESCN(C)c1ccc(C(C)(C(=O)O)c2ccccc2O)cc1N(C)C
InChIInChI=1S/C19H24N2O3/c1-19(18(23)24,14-8-6-7-9-17(14)22)13-10-11-15(20(2)3)16(12-13)21(4)5/h6-12,22H,1-5H3,(H,23,24)
InChIKeySNVYSTXWHGSGGD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.91
Rot. Bonds5

About 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid

2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid (PubChem CID 22411851) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid
PubChem CID22411851
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid
SMILESCN(C)c1ccc(C(C)(C(=O)O)c2ccccc2O)cc1N(C)C
InChIInChI=1S/C19H24N2O3/c1-19(18(23)24,14-8-6-7-9-17(14)22)13-10-11-15(20(2)3)16(12-13)21(4)5/h6-12,22H,1-5H3,(H,23,24)
InChIKeySNVYSTXWHGSGGD-UHFFFAOYSA-N
XLogP2.91
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
CID 174723057
2-[2-(dimethylamino)propan-2-yl]phenol
CID 66587179
3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 105487577
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
CID 105493906
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
CID 152546221
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
2-tert-butylphenol;toluene
CID 175493501
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
CID 141323363
2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
CID 139823282
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid (CID 22411851) is 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid is CN(C)c1ccc(C(C)(C(=O)O)c2ccccc2O)cc1N(C)C.
What is the InChIKey of 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid?
The InChIKey is SNVYSTXWHGSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(18(23)24,14-8-6-7-9-17(14)22)13-10-11-15(20(2)3)16(12-13)21(4)5/h6-12,22H,1-5H3,(H,23,24).
What are the key properties of 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid?
2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 22411851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).