2-amino-5-(diethylamino)-3-methylbenzoic acid

C12H18N2O2 — CID 70548387

IUPAC2-amino-5-(diethylamino)-3-methylbenzoic acid
SMILESCCN(CC)c1cc(C)c(N)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)9-6-8(3)11(13)10(7-9)12(15)16/h6-7H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyZBDTVXHXVBIZKK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-5-(diethylamino)-3-methylbenzoic acid

2-amino-5-(diethylamino)-3-methylbenzoic acid (PubChem CID 70548387) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-5-(diethylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-(diethylamino)-3-methylbenzoic acid
PubChem CID70548387
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-5-(diethylamino)-3-methylbenzoic acid
SMILESCCN(CC)c1cc(C)c(N)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)9-6-8(3)11(13)10(7-9)12(15)16/h6-7H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyZBDTVXHXVBIZKK-UHFFFAOYSA-N
XLogP2.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine
CID 14746073
2-amino-3-(4-amino-4-carboxybutanoyl)-5-(diethylamino)benzoic acid
CID 70613657
2-amino-3-methyl-5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106914407
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
4-(diethylamino)-2,6-dimethylphenol
CID 15751872
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
2-amino-3-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]benzoic acid
CID 82740828
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid
CID 154201138
2-amino-3-[4-(diethylamino)-2-methylphenyl]propanoic acid
CID 170880204
2-amino-3,4,5-trimethylbenzoic acid
CID 22633906

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diethylamino)-3-methylbenzoic acid?
The IUPAC name of 2-amino-5-(diethylamino)-3-methylbenzoic acid (CID 70548387) is 2-amino-5-(diethylamino)-3-methylbenzoic acid.
What is the SMILES notation for 2-amino-5-(diethylamino)-3-methylbenzoic acid?
The canonical SMILES for 2-amino-5-(diethylamino)-3-methylbenzoic acid is CCN(CC)c1cc(C)c(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(diethylamino)-3-methylbenzoic acid?
The InChIKey is ZBDTVXHXVBIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)9-6-8(3)11(13)10(7-9)12(15)16/h6-7H,4-5,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-5-(diethylamino)-3-methylbenzoic acid?
2-amino-5-(diethylamino)-3-methylbenzoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diethylamino)-3-methylbenzoic acid is sourced from PubChem (CID 70548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).