ethyl 2-[(2-methylphenyl)methylideneamino]acetate

C12H15NO2 — CID 15468535

IUPACethyl 2-[(2-methylphenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-13-8-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3/b13-8+
InChIKeyIMRBVTWLZCDLND-MDWZMJQESA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-[(2-methylphenyl)methylideneamino]acetate

ethyl 2-[(2-methylphenyl)methylideneamino]acetate (PubChem CID 15468535) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-[(2-methylphenyl)methylideneamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylphenyl)methylideneamino]acetate
PubChem CID15468535
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-[(2-methylphenyl)methylideneamino]acetate
SMILESCCOC(=O)C/N=C/c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-13-8-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3/b13-8+
InChIKeyIMRBVTWLZCDLND-MDWZMJQESA-N
XLogP1.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
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

ethyl 2-[(2-but-2-ynylphenyl)methylideneamino]acetate
CID 134861284
ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
CID 135509911
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
ethyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylideneamino]acetate
CID 140857348
ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 2-[(4-bromophenyl)methylideneamino]acetate
CID 10492236
ethane;N-ethyl-1-(2-methylphenyl)methanimine
CID 177332542
ethyl 2-[(2,5-dihydroxy-3,4-dimethoxyphenyl)methylideneamino]acetate
CID 137295393
ethyl 2-[[(E)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]amino]acetate
CID 135441648
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534
methyl 2-[(2-methoxyphenyl)methylideneamino]acetate
CID 4863442
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylphenyl)methylideneamino]acetate?
The IUPAC name of ethyl 2-[(2-methylphenyl)methylideneamino]acetate (CID 15468535) is ethyl 2-[(2-methylphenyl)methylideneamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methylphenyl)methylideneamino]acetate?
The canonical SMILES for ethyl 2-[(2-methylphenyl)methylideneamino]acetate is CCOC(=O)C/N=C/c1ccccc1C.
What is the InChIKey of ethyl 2-[(2-methylphenyl)methylideneamino]acetate?
The InChIKey is IMRBVTWLZCDLND-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)9-13-8-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3/b13-8+.
What are the key properties of ethyl 2-[(2-methylphenyl)methylideneamino]acetate?
ethyl 2-[(2-methylphenyl)methylideneamino]acetate has a molecular weight of 205.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylphenyl)methylideneamino]acetate is sourced from PubChem (CID 15468535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).