N,N-diethylethanamine;phthalic acid

C14H21NO4 — CID 12892899

IUPACN,N-diethylethanamine;phthalic acid
SMILESCCN(CC)CC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H15N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);4-6H2,1-3H3
InChIKeyJLIOOYQWWAUHRC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.43
Rot. Bonds5

About N,N-diethylethanamine;phthalic acid

N,N-diethylethanamine;phthalic acid (PubChem CID 12892899) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-diethylethanamine;phthalic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;phthalic acid
PubChem CID12892899
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC NameN,N-diethylethanamine;phthalic acid
SMILESCCN(CC)CC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H15N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);4-6H2,1-3H3
InChIKeyJLIOOYQWWAUHRC-UHFFFAOYSA-N
XLogP2.43
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-diethylethanamine;phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;phthalic acid?
The IUPAC name of N,N-diethylethanamine;phthalic acid (CID 12892899) is N,N-diethylethanamine;phthalic acid.
What is the SMILES notation for N,N-diethylethanamine;phthalic acid?
The canonical SMILES for N,N-diethylethanamine;phthalic acid is CCN(CC)CC.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of N,N-diethylethanamine;phthalic acid?
The InChIKey is JLIOOYQWWAUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H15N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4-7(5-2)6-3/h1-4H,(H,9,10)(H,11,12);4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;phthalic acid?
N,N-diethylethanamine;phthalic acid has a molecular weight of 267.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;phthalic acid is sourced from PubChem (CID 12892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).