2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid

C16H17NO3 — CID 60993074

IUPAC2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1ccccc1C(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-6-5-7-12(10-11)17-15(16(18)19)13-8-3-4-9-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyCGTYUUQXMFMYEM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid

2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid (PubChem CID 60993074) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
PubChem CID60993074
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
SMILESCOc1ccccc1C(Nc1cccc(C)c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-11-6-5-7-12(10-11)17-15(16(18)19)13-8-3-4-9-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)
InChIKeyCGTYUUQXMFMYEM-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
CID 60992710
2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61004978
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 60992175
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid (CID 60993074) is 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid is COc1ccccc1C(Nc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid?
The InChIKey is CGTYUUQXMFMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-5-7-12(10-11)17-15(16(18)19)13-8-3-4-9-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid?
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid is sourced from PubChem (CID 60993074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).