[2-(dimethylamino)-1-phenylethyl] acetate

C12H17NO2 — CID 3050593

IUPAC[2-(dimethylamino)-1-phenylethyl] acetate
SMILESCC(=O)OC(CN(C)C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(14)15-12(9-13(2)3)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKeyRWNILOMIPVLRIS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds4

About [2-(dimethylamino)-1-phenylethyl] acetate

[2-(dimethylamino)-1-phenylethyl] acetate (PubChem CID 3050593) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [2-(dimethylamino)-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-1-phenylethyl] acetate
PubChem CID3050593
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[2-(dimethylamino)-1-phenylethyl] acetate
SMILESCC(=O)OC(CN(C)C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(14)15-12(9-13(2)3)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKeyRWNILOMIPVLRIS-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-phenylethyl] acetate?
The IUPAC name of [2-(dimethylamino)-1-phenylethyl] acetate (CID 3050593) is [2-(dimethylamino)-1-phenylethyl] acetate.
What is the SMILES notation for [2-(dimethylamino)-1-phenylethyl] acetate?
The canonical SMILES for [2-(dimethylamino)-1-phenylethyl] acetate is CC(=O)OC(CN(C)C)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-1-phenylethyl] acetate?
The InChIKey is RWNILOMIPVLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(14)15-12(9-13(2)3)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3.
What are the key properties of [2-(dimethylamino)-1-phenylethyl] acetate?
[2-(dimethylamino)-1-phenylethyl] acetate has a molecular weight of 207.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1-phenylethyl] acetate is sourced from PubChem (CID 3050593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).