methyl 4-(diethylamino)benzoate

C12H17NO2 — CID 5086469

IUPACmethyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3
InChIKeyNRZLHHHHUNKJOP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.32
Rot. Bonds4

About methyl 4-(diethylamino)benzoate

methyl 4-(diethylamino)benzoate (PubChem CID 5086469) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 4-(diethylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)benzoate
PubChem CID5086469
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3
InChIKeyNRZLHHHHUNKJOP-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)benzoate?
The IUPAC name of methyl 4-(diethylamino)benzoate (CID 5086469) is methyl 4-(diethylamino)benzoate.
What is the SMILES notation for methyl 4-(diethylamino)benzoate?
The canonical SMILES for methyl 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(diethylamino)benzoate?
The InChIKey is NRZLHHHHUNKJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3.
What are the key properties of methyl 4-(diethylamino)benzoate?
methyl 4-(diethylamino)benzoate has a molecular weight of 207.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)benzoate is sourced from PubChem (CID 5086469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).