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

C13H19NO2 — CID 67794588

IUPACethyl 2-[2-(2-methylphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,14H,3,8-10H2,1-2H3
InChIKeySULVRKVFFYSIFT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds6

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

ethyl 2-[2-(2-methylphenyl)ethylamino]acetate (PubChem CID 67794588) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylphenyl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylphenyl)ethylamino]acetate
PubChem CID67794588
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-[2-(2-methylphenyl)ethylamino]acetate
SMILESCCOC(=O)CNCCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,14H,3,8-10H2,1-2H3
InChIKeySULVRKVFFYSIFT-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112722399
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
ethyl 6-(2-methylphenyl)-4-oxohexanoate
CID 63900705
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
CID 115257497
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
N-(cyanomethyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 79749194
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
ethyl 2-(3,5-diphenylpentylamino)acetate
CID 21019958
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylphenyl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-methylphenyl)ethylamino]acetate (CID 67794588) is ethyl 2-[2-(2-methylphenyl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylphenyl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylphenyl)ethylamino]acetate is CCOC(=O)CNCCc1ccccc1C.
What is the InChIKey of ethyl 2-[2-(2-methylphenyl)ethylamino]acetate?
The InChIKey is SULVRKVFFYSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13(15)10-14-9-8-12-7-5-4-6-11(12)2/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methylphenyl)ethylamino]acetate?
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate has a molecular weight of 221.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylphenyl)ethylamino]acetate is sourced from PubChem (CID 67794588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).