2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate

C16H26N2O2 — CID 142700102

IUPAC2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate
SMILESCCN(CC)CCOC(=O)c1cc(C)c(N)c(C)c1C
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)8-9-20-16(19)14-10-11(3)15(17)13(5)12(14)4/h10H,6-9,17H2,1-5H3
InChIKeyXAQOGHQIDPLBCW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds6

About 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate

2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate (PubChem CID 142700102) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate
PubChem CID142700102
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate
SMILESCCN(CC)CCOC(=O)c1cc(C)c(N)c(C)c1C
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)8-9-20-16(19)14-10-11(3)15(17)13(5)12(14)4/h10H,6-9,17H2,1-5H3
InChIKeyXAQOGHQIDPLBCW-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate (CID 142700102) is 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate is CCN(CC)CCOC(=O)c1cc(C)c(N)c(C)c1C.
What is the InChIKey of 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate?
The InChIKey is XAQOGHQIDPLBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-18(7-2)8-9-20-16(19)14-10-11(3)15(17)13(5)12(14)4/h10H,6-9,17H2,1-5H3.
What are the key properties of 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate?
2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate has a molecular weight of 278.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-amino-2,3,5-trimethylbenzoate is sourced from PubChem (CID 142700102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).