methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate

C17H19NO2 — CID 60992633

IUPACmethyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C17H19NO2/c1-12-7-6-9-14(11-12)16(17(19)20-3)18-15-10-5-4-8-13(15)2/h4-11,16,18H,1-3H3
InChIKeyJOFOZUHILKRJQM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate

methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate (PubChem CID 60992633) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
PubChem CID60992633
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C17H19NO2/c1-12-7-6-9-14(11-12)16(17(19)20-3)18-15-10-5-4-8-13(15)2/h4-11,16,18H,1-3H3
InChIKeyJOFOZUHILKRJQM-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61347156
methyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 95552550
methyl 2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 56872619
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-(2-cyano-5-methylanilino)-2-phenylacetate
CID 62309140
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[(R)-(2-methylanilino)-phenylmethyl]prop-2-enoate
CID 138968921
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate (CID 60992633) is methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate is COC(=O)C(Nc1ccccc1C)c1cccc(C)c1.
What is the InChIKey of methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate?
The InChIKey is JOFOZUHILKRJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-7-6-9-14(11-12)16(17(19)20-3)18-15-10-5-4-8-13(15)2/h4-11,16,18H,1-3H3.
What are the key properties of methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate?
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate has a molecular weight of 269.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate is sourced from PubChem (CID 60992633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).