ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate

C12H18N2O2 — CID 3961928

IUPACethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)11(13)9-5-7-10(8-6-9)14(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyKURQNRUKVLGFOI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate

ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate (PubChem CID 3961928) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
PubChem CID3961928
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)11(13)9-5-7-10(8-6-9)14(2)3/h5-8,11H,4,13H2,1-3H3
InChIKeyKURQNRUKVLGFOI-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]butanoate
CID 102373019
ethyl 2-[bis[4-(dimethylamino)phenyl]methoxy]acetate
CID 131712796
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
ethyl 3,3-bis[4-(dimethylamino)phenyl]-2-pyridin-1-ium-1-ylpropanoate
CID 102110624

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate (CID 3961928) is ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate is CCOC(=O)C(N)c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate?
The InChIKey is KURQNRUKVLGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-12(15)11(13)9-5-7-10(8-6-9)14(2)3/h5-8,11H,4,13H2,1-3H3.
What are the key properties of ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate?
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate has a molecular weight of 222.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate is sourced from PubChem (CID 3961928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).