1-(dimethylamino)ethyl 2-phenylacetate

C12H17NO2 — CID 88661320

IUPAC1-(dimethylamino)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C12H17NO2/c1-10(13(2)3)15-12(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyUTMSGNBFHMJSEA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds4

About 1-(dimethylamino)ethyl 2-phenylacetate

1-(dimethylamino)ethyl 2-phenylacetate (PubChem CID 88661320) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-phenylacetate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-phenylacetate
PubChem CID88661320
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(dimethylamino)ethyl 2-phenylacetate
SMILESCC(OC(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C12H17NO2/c1-10(13(2)3)15-12(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyUTMSGNBFHMJSEA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-phenylacetate
CID 55417641
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
1-(dimethylamino)ethyl 2-oxo-4-phenylbutanoate
CID 21295116
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
1-phenylpropyl 2-phenylacetate
CID 59360641
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-phenylacetate?
The IUPAC name of 1-(dimethylamino)ethyl 2-phenylacetate (CID 88661320) is 1-(dimethylamino)ethyl 2-phenylacetate.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-phenylacetate?
The canonical SMILES for 1-(dimethylamino)ethyl 2-phenylacetate is CC(OC(=O)Cc1ccccc1)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-phenylacetate?
The InChIKey is UTMSGNBFHMJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(13(2)3)15-12(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(dimethylamino)ethyl 2-phenylacetate?
1-(dimethylamino)ethyl 2-phenylacetate has a molecular weight of 207.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-phenylacetate is sourced from PubChem (CID 88661320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).