[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate

C15H23NO2 — CID 71391256

IUPAC[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11-7-12(2)9-13(8-11)14(17)18-10-15(3,4)16(5)6/h7-9H,10H2,1-6H3
InChIKeyVFRHIQJZDRTTDI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.80
Rot. Bonds4

About [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate

[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate (PubChem CID 71391256) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate
PubChem CID71391256
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11-7-12(2)9-13(8-11)14(17)18-10-15(3,4)16(5)6/h7-9H,10H2,1-6H3
InChIKeyVFRHIQJZDRTTDI-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylbenzoyl)oxy-2,3-dimethylbut-3-enyl] 3,5-dimethylbenzoate
CID 132942251
[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2520230
[2,2-bis[(3,5-dimethylbenzoyl)oxymethyl]-3-[(S)-(3,5-dimethylphenyl)-hydroxymethoxy]propyl] 3,5-dimethylbenzoate
CID 137433242
(3,5-dimethylbenzoyl) 3,5-dimethylbenzoate
CID 11780991
4,4-dimethylpentyl 3-amino-5-methylbenzoate
CID 114210100
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
2,2,2-trifluoroethoxymethyl 3-amino-5-methylbenzoate
CID 106705801
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3,5-dimethylbenzoate
CID 9229215
3-amino-1-(3,5-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 116573501
2-(3-methylbutoxy)ethyl 3,5-dimethylbenzoate
CID 140608552
benzyl 3,5-dimethylbenzoate
CID 54359872
ethyl 3-iodo-5-methylbenzoate
CID 79018034

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate?
The IUPAC name of [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate (CID 71391256) is [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate?
The canonical SMILES for [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)OCC(C)(C)N(C)C)c1.
What is the InChIKey of [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate?
The InChIKey is VFRHIQJZDRTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-7-12(2)9-13(8-11)14(17)18-10-15(3,4)16(5)6/h7-9H,10H2,1-6H3.
What are the key properties of [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate?
[2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate has a molecular weight of 249.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-methylpropyl] 3,5-dimethylbenzoate is sourced from PubChem (CID 71391256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).