[5-(diethylamino)-2-methylphenyl] benzoate

C18H21NO2 — CID 129225541

IUPAC[5-(diethylamino)-2-methylphenyl] benzoate
SMILESCCN(CC)c1ccc(C)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-4-19(5-2)16-12-11-14(3)17(13-16)21-18(20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyVFTUBLRJSOACRT-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.06
Rot. Bonds5

About [5-(diethylamino)-2-methylphenyl] benzoate

[5-(diethylamino)-2-methylphenyl] benzoate (PubChem CID 129225541) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [5-(diethylamino)-2-methylphenyl] benzoate.

Molecular Properties

Compound Name[5-(diethylamino)-2-methylphenyl] benzoate
PubChem CID129225541
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[5-(diethylamino)-2-methylphenyl] benzoate
SMILESCCN(CC)c1ccc(C)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-4-19(5-2)16-12-11-14(3)17(13-16)21-18(20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyVFTUBLRJSOACRT-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.06
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-(diethylamino)phenyl] benzoate
CID 67071301
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
CID 58788729
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
[5-(diethylamino)-2-formylphenyl] 2-iodobenzoate
CID 4766734
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
[4-(diethylamino)-2-ethoxyphenyl] 2-[4-(diethylamino)-2-ethoxyphenyl]benzoate
CID 129099505
N,N-diethyl-3-methoxy-4-(1-phenylbuta-1,3-dienyl)aniline
CID 139761075
N-(3-methoxy-4-methylphenyl)-N-(2-methylpropyl)benzamide
CID 70967375
(2,5-dimethylphenyl) 4-fluorobenzoate
CID 837736
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
[2-[[(2-benzoyloxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenyl] benzoate
CID 100999769

Frequently Asked Questions

What is the IUPAC name of [5-(diethylamino)-2-methylphenyl] benzoate?
The IUPAC name of [5-(diethylamino)-2-methylphenyl] benzoate (CID 129225541) is [5-(diethylamino)-2-methylphenyl] benzoate.
What is the SMILES notation for [5-(diethylamino)-2-methylphenyl] benzoate?
The canonical SMILES for [5-(diethylamino)-2-methylphenyl] benzoate is CCN(CC)c1ccc(C)c(OC(=O)c2ccccc2)c1.
What is the InChIKey of [5-(diethylamino)-2-methylphenyl] benzoate?
The InChIKey is VFTUBLRJSOACRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-19(5-2)16-12-11-14(3)17(13-16)21-18(20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3.
What are the key properties of [5-(diethylamino)-2-methylphenyl] benzoate?
[5-(diethylamino)-2-methylphenyl] benzoate has a molecular weight of 283.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-2-methylphenyl] benzoate is sourced from PubChem (CID 129225541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).