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

C12H17NO2 — CID 10398115

IUPACethyl 2-[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)9-10-5-7-11(8-6-10)13(2)3/h5-8H,4,9H2,1-3H3
InChIKeyAYHIIZSBWKSPJI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.86
Rot. Bonds4

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

ethyl 2-[4-(dimethylamino)phenyl]acetate (PubChem CID 10398115) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)phenyl]acetate
PubChem CID10398115
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)9-10-5-7-11(8-6-10)13(2)3/h5-8H,4,9H2,1-3H3
InChIKeyAYHIIZSBWKSPJI-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(dimethylamino)phenyl]acetate (CID 10398115) is ethyl 2-[4-(dimethylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)phenyl]acetate is CCOC(=O)Cc1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2-[4-(dimethylamino)phenyl]acetate?
The InChIKey is AYHIIZSBWKSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12(14)9-10-5-7-11(8-6-10)13(2)3/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[4-(dimethylamino)phenyl]acetate?
ethyl 2-[4-(dimethylamino)phenyl]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)phenyl]acetate is sourced from PubChem (CID 10398115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).