methyl 2-[(4-methylphenyl)methylimino]acetate

C11H13NO2 — CID 139818828

IUPACmethyl 2-[(4-methylphenyl)methylimino]acetate
SMILESCOC(=O)/C=N/Cc1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-9-3-5-10(6-4-9)7-12-8-11(13)14-2/h3-6,8H,7H2,1-2H3/b12-8+
InChIKeyYEBMBNCMYREEJP-XYOKQWHBSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-[(4-methylphenyl)methylimino]acetate

methyl 2-[(4-methylphenyl)methylimino]acetate (PubChem CID 139818828) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-[(4-methylphenyl)methylimino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylphenyl)methylimino]acetate
PubChem CID139818828
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-[(4-methylphenyl)methylimino]acetate
SMILESCOC(=O)/C=N/Cc1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-9-3-5-10(6-4-9)7-12-8-11(13)14-2/h3-6,8H,7H2,1-2H3/b12-8+
InChIKeyYEBMBNCMYREEJP-XYOKQWHBSA-N
XLogP1.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
Methyl (2E)-[(diphenylmethyl)imino]acetate
CID 12624354
N-benzyl-2-methoxy-2-oxoethanimine oxide
CID 10921382
Methyl 2-[(4-methylphenyl)methylideneamino]acetate
CID 4863446
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Butyl 2-benzhydryliminoacetate
CID 10935313
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
ethyl (2E)-[(diphenylmethyl)imino]ethanoate
CID 11402900
methyl N-benzylmethanimidate
CID 14292074
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
Methyl 2-[(3,4-difluorophenyl)methylimino]acetate
CID 139818736
Methyl 2-[(4-fluorophenyl)methylimino]acetate
CID 139818805

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylphenyl)methylimino]acetate?
The IUPAC name of methyl 2-[(4-methylphenyl)methylimino]acetate (CID 139818828) is methyl 2-[(4-methylphenyl)methylimino]acetate.
What is the SMILES notation for methyl 2-[(4-methylphenyl)methylimino]acetate?
The canonical SMILES for methyl 2-[(4-methylphenyl)methylimino]acetate is COC(=O)/C=N/Cc1ccc(C)cc1.
What is the InChIKey of methyl 2-[(4-methylphenyl)methylimino]acetate?
The InChIKey is YEBMBNCMYREEJP-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-3-5-10(6-4-9)7-12-8-11(13)14-2/h3-6,8H,7H2,1-2H3/b12-8+.
What are the key properties of methyl 2-[(4-methylphenyl)methylimino]acetate?
methyl 2-[(4-methylphenyl)methylimino]acetate has a molecular weight of 191.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylphenyl)methylimino]acetate is sourced from PubChem (CID 139818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).