N-ethylethanamine;phthalic acid

C12H17NO4 — CID 69020139

IUPACN-ethylethanamine;phthalic acid
SMILESCCNCC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3
InChIKeyLSIZVKAGUNPCTL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.70
Rot. Bonds4

About N-ethylethanamine;phthalic acid

N-ethylethanamine;phthalic acid (PubChem CID 69020139) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethylethanamine;phthalic acid.

Molecular Properties

Compound NameN-ethylethanamine;phthalic acid
PubChem CID69020139
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-ethylethanamine;phthalic acid
SMILESCCNCC.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3
InChIKeyLSIZVKAGUNPCTL-UHFFFAOYSA-N
XLogP1.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;phthalic acid?
The IUPAC name of N-ethylethanamine;phthalic acid (CID 69020139) is N-ethylethanamine;phthalic acid.
What is the SMILES notation for N-ethylethanamine;phthalic acid?
The canonical SMILES for N-ethylethanamine;phthalic acid is CCNCC.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of N-ethylethanamine;phthalic acid?
The InChIKey is LSIZVKAGUNPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H11N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;phthalic acid?
N-ethylethanamine;phthalic acid has a molecular weight of 239.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;phthalic acid is sourced from PubChem (CID 69020139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).