2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid

C14H21NO3 — CID 82481256

IUPAC2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
SMILESCOc1cc(C(C)C)ccc1C(C(=O)O)N(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)18-5)13(14(16)17)15(3)4/h6-9,13H,1-5H3,(H,16,17)
InChIKeyOTRWQHGZIOCAAB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds5

About 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid

2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid (PubChem CID 82481256) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
PubChem CID82481256
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
SMILESCOc1cc(C(C)C)ccc1C(C(=O)O)N(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)18-5)13(14(16)17)15(3)4/h6-9,13H,1-5H3,(H,16,17)
InChIKeyOTRWQHGZIOCAAB-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116909931
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid (CID 82481256) is 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid is COc1cc(C(C)C)ccc1C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
The InChIKey is OTRWQHGZIOCAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)10-6-7-11(12(8-10)18-5)13(14(16)17)15(3)4/h6-9,13H,1-5H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid?
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 82481256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).