(3-propan-2-ylphenyl) 2-(dimethylamino)acetate

C13H19NO2 — CID 91261500

IUPAC(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
SMILESCC(C)c1cccc(OC(=O)CN(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)11-6-5-7-12(8-11)16-13(15)9-14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDMGPNMWLSFGKFC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.28
Rot. Bonds4

About (3-propan-2-ylphenyl) 2-(dimethylamino)acetate

(3-propan-2-ylphenyl) 2-(dimethylamino)acetate (PubChem CID 91261500) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-propan-2-ylphenyl) 2-(dimethylamino)acetate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
PubChem CID91261500
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
SMILESCC(C)c1cccc(OC(=O)CN(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)11-6-5-7-12(8-11)16-13(15)9-14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDMGPNMWLSFGKFC-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(3-propan-2-ylphenoxy)butanoic acid
CID 94263248
(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59994554
[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
CID 68807016
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3-propan-2-ylphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8908855
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
CID 119206542
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(3-propan-2-ylphenyl) N-methyl-N-morpholin-4-ylsulfanylcarbamate
CID 88617985
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl) 2-(dimethylamino)acetate?
The IUPAC name of (3-propan-2-ylphenyl) 2-(dimethylamino)acetate (CID 91261500) is (3-propan-2-ylphenyl) 2-(dimethylamino)acetate.
What is the SMILES notation for (3-propan-2-ylphenyl) 2-(dimethylamino)acetate?
The canonical SMILES for (3-propan-2-ylphenyl) 2-(dimethylamino)acetate is CC(C)c1cccc(OC(=O)CN(C)C)c1.
What is the InChIKey of (3-propan-2-ylphenyl) 2-(dimethylamino)acetate?
The InChIKey is DMGPNMWLSFGKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-6-5-7-12(8-11)16-13(15)9-14(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of (3-propan-2-ylphenyl) 2-(dimethylamino)acetate?
(3-propan-2-ylphenyl) 2-(dimethylamino)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl) 2-(dimethylamino)acetate is sourced from PubChem (CID 91261500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).