2-[4-(diethylamino)phenyl]acetic acid

C12H17NO2 — CID 15571459

IUPAC2-[4-(diethylamino)phenyl]acetic acid
SMILESCCN(CC)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)11-7-5-10(6-8-11)9-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyOILWYHDLQFTXAM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-(diethylamino)phenyl]acetic acid

2-[4-(diethylamino)phenyl]acetic acid (PubChem CID 15571459) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]acetic acid
PubChem CID15571459
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[4-(diethylamino)phenyl]acetic acid
SMILESCCN(CC)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-3-13(4-2)11-7-5-10(6-8-11)9-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyOILWYHDLQFTXAM-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(diethylamino)phenyl]acetic acid (CID 15571459) is 2-[4-(diethylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)phenyl]acetic acid is CCN(CC)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]acetic acid?
The InChIKey is OILWYHDLQFTXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13(4-2)11-7-5-10(6-8-11)9-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(diethylamino)phenyl]acetic acid?
2-[4-(diethylamino)phenyl]acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]acetic acid is sourced from PubChem (CID 15571459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).