4-[3-(diethylamino)propylamino]-2-methylbenzoic acid

C15H24N2O2 — CID 81281767

IUPAC4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
SMILESCCN(CC)CCCNc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2)10-6-9-16-13-7-8-14(15(18)19)12(3)11-13/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyVECSLSFTCGXQGG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.84
Rot. Bonds8

About 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid

4-[3-(diethylamino)propylamino]-2-methylbenzoic acid (PubChem CID 81281767) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
PubChem CID81281767
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
SMILESCCN(CC)CCCNc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-17(5-2)10-6-9-16-13-7-8-14(15(18)19)12(3)11-13/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyVECSLSFTCGXQGG-UHFFFAOYSA-N
XLogP2.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
4-[5-(diethylamino)pentan-2-ylamino]-2-methylbenzoic acid
CID 81273545
2-methyl-4-(3-phenoxypropylamino)benzoic acid
CID 81273769
2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
4-[2-(dimethylcarbamoylamino)ethylamino]-2-methylbenzoic acid
CID 113400031
4-(2,2-difluoroethylamino)-2-methylbenzoic acid
CID 115408718
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
2-chloro-4-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62949281
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 81282456
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
2-methyl-4-(3-methylpentan-3-ylamino)benzoic acid
CID 106329957

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid?
The IUPAC name of 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid (CID 81281767) is 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid?
The canonical SMILES for 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid is CCN(CC)CCCNc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid?
The InChIKey is VECSLSFTCGXQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(5-2)10-6-9-16-13-7-8-14(15(18)19)12(3)11-13/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid?
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]-2-methylbenzoic acid is sourced from PubChem (CID 81281767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).