[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate

C12H17NO2 — CID 59825274

IUPAC[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
SMILESCC(=O)Oc1cccc([C@@H](C)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(13(3)4)11-6-5-7-12(8-11)15-10(2)14/h5-9H,1-4H3/t9-/m1/s1
InChIKeyGZJTUHOUZWGQNE-SECBINFHSA-N
MW207.27 g/mol
LogP2.23
Rot. Bonds3

About [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate

[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate (PubChem CID 59825274) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
PubChem CID59825274
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
SMILESCC(=O)Oc1cccc([C@@H](C)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-9(13(3)4)11-6-5-7-12(8-11)15-10(2)14/h5-9H,1-4H3/t9-/m1/s1
InChIKeyGZJTUHOUZWGQNE-SECBINFHSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-hydroxyethyl)phenyl] acetate
CID 11030413
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
CID 23037475
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10777494
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate
CID 66511376
[3-[(1S)-1,3-diaminopropyl]phenyl] acetate
CID 171229323
[3-[1-(dimethylamino)ethyl]phenyl] N-[4-(4-aminophenyl)sulfanylphenyl]carbamate
CID 143733575

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate?
The IUPAC name of [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate (CID 59825274) is [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate.
What is the SMILES notation for [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate?
The canonical SMILES for [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate is CC(=O)Oc1cccc([C@@H](C)N(C)C)c1.
What is the InChIKey of [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate?
The InChIKey is GZJTUHOUZWGQNE-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13(3)4)11-6-5-7-12(8-11)15-10(2)14/h5-9H,1-4H3/t9-/m1/s1.
What are the key properties of [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate?
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate has a molecular weight of 207.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate is sourced from PubChem (CID 59825274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).