4-(ethylamino)benzoic acid

C9H11NO2 — CID 2775249

IUPAC4-(ethylamino)benzoic acid
SMILESCCNc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeySWXFMMWYVSYQGF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.82
Rot. Bonds3

About 4-(ethylamino)benzoic acid

4-(ethylamino)benzoic acid (PubChem CID 2775249) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(ethylamino)benzoic acid.

Molecular Properties

Compound Name4-(ethylamino)benzoic acid
PubChem CID2775249
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(ethylamino)benzoic acid
SMILESCCNc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeySWXFMMWYVSYQGF-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)benzoic acid?
The IUPAC name of 4-(ethylamino)benzoic acid (CID 2775249) is 4-(ethylamino)benzoic acid.
What is the SMILES notation for 4-(ethylamino)benzoic acid?
The canonical SMILES for 4-(ethylamino)benzoic acid is CCNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(ethylamino)benzoic acid?
The InChIKey is SWXFMMWYVSYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12).
What are the key properties of 4-(ethylamino)benzoic acid?
4-(ethylamino)benzoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)benzoic acid is sourced from PubChem (CID 2775249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).