2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid

C17H19NO2 — CID 39368218

IUPAC2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-13-5-3-7-15(9-13)11-18(12-17(19)20)16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyFXQVHVMWWWRMPX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.39
Rot. Bonds5

About 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid

2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid (PubChem CID 39368218) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
PubChem CID39368218
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-13-5-3-7-15(9-13)11-18(12-17(19)20)16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyFXQVHVMWWWRMPX-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39372088
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-[N-[[3-(difluoromethyl)phenyl]methyl]anilino]acetic acid
CID 115529550
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
2-[3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]anilino]acetic acid
CID 65058188
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 10946730
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
3-[N-[(4-fluorophenyl)methyl]-3-methylanilino]propanoic acid
CID 82317416
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid (CID 39368218) is 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid is Cc1cccc(CN(CC(=O)O)c2cccc(C)c2)c1.
What is the InChIKey of 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The InChIKey is FXQVHVMWWWRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-5-3-7-15(9-13)11-18(12-17(19)20)16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid?
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 39368218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).