2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid

C19H23NO3 — CID 50973820

IUPAC2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(C)cc1C(C(=O)O)N(C)CCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14-9-10-17(23-3)16(13-14)18(19(21)22)20(2)12-11-15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,21,22)
InChIKeyNQJFVDRTSRGELG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.30
Rot. Bonds7

About 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid

2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid (PubChem CID 50973820) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
PubChem CID50973820
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(C)cc1C(C(=O)O)N(C)CCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14-9-10-17(23-3)16(13-14)18(19(21)22)20(2)12-11-15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,21,22)
InChIKeyNQJFVDRTSRGELG-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-2-(2-methoxy-5-methylphenyl)acetic acid
CID 47000517
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
(2R)-2-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
CID 97190981
3-(2,6-dimethoxyphenyl)-2-[methyl(2-phenylethyl)amino]propanoic acid
CID 90704143
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
CID 57296418
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid (CID 50973820) is 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid is COc1ccc(C)cc1C(C(=O)O)N(C)CCc1ccccc1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid?
The InChIKey is NQJFVDRTSRGELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-9-10-17(23-3)16(13-14)18(19(21)22)20(2)12-11-15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid?
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid has a molecular weight of 313.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 50973820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).