[4-[(dimethylamino)methyl]phenyl] acetate

C11H15NO2 — CID 102268693

IUPAC[4-[(dimethylamino)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CN(C)C)cc1
InChIInChI=1S/C11H15NO2/c1-9(13)14-11-6-4-10(5-7-11)8-12(2)3/h4-7H,8H2,1-3H3
InChIKeyBRTPSZRITUKCLE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.67
Rot. Bonds3

About [4-[(dimethylamino)methyl]phenyl] acetate

[4-[(dimethylamino)methyl]phenyl] acetate (PubChem CID 102268693) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl] acetate
PubChem CID102268693
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[4-[(dimethylamino)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CN(C)C)cc1
InChIInChI=1S/C11H15NO2/c1-9(13)14-11-6-4-10(5-7-11)8-12(2)3/h4-7H,8H2,1-3H3
InChIKeyBRTPSZRITUKCLE-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(dimethylamino)methyl]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

[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 138400728
[4-(dimethylamino)phenyl] acetate
CID 586356
[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
ethane;[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 163399694
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
(4-but-2-enylphenyl) acetate
CID 57109084

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl] acetate?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl] acetate (CID 102268693) is [4-[(dimethylamino)methyl]phenyl] acetate.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl] acetate?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl] acetate is CC(=O)Oc1ccc(CN(C)C)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl] acetate?
The InChIKey is BRTPSZRITUKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)14-11-6-4-10(5-7-11)8-12(2)3/h4-7H,8H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl] acetate?
[4-[(dimethylamino)methyl]phenyl] acetate has a molecular weight of 193.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl] acetate is sourced from PubChem (CID 102268693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).