2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid

C18H21NO3 — CID 82140838

IUPAC2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H21NO3/c1-19(2)15-9-6-8-13(11-15)16(18(20)21)12-14-7-4-5-10-17(14)22-3/h4-11,16H,12H2,1-3H3,(H,20,21)
InChIKeyUPSOHLMREKFYBX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds6

About 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid

2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid (PubChem CID 82140838) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
PubChem CID82140838
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1cccc(N(C)C)c1
InChIInChI=1S/C18H21NO3/c1-19(2)15-9-6-8-13(11-15)16(18(20)21)12-14-7-4-5-10-17(14)22-3/h4-11,16H,12H2,1-3H3,(H,20,21)
InChIKeyUPSOHLMREKFYBX-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)propanoic acid
CID 83951389
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
CID 90028154
3-[ethylamino-(2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105093677

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid (CID 82140838) is 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1cccc(N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is UPSOHLMREKFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(2)15-9-6-8-13(11-15)16(18(20)21)12-14-7-4-5-10-17(14)22-3/h4-11,16H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid?
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82140838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).