2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid

C14H22N2O2 — CID 104824272

IUPAC2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid
SMILESCCCCN(CC)Cc1cccc(N)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-5-9-16(4-2)10-11-7-6-8-12(15)13(11)14(17)18/h6-8H,3-5,9-10,15H2,1-2H3,(H,17,18)
InChIKeySCNHAPLGQSRPGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds7

About 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid

2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid (PubChem CID 104824272) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid
PubChem CID104824272
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid
SMILESCCCCN(CC)Cc1cccc(N)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-5-9-16(4-2)10-11-7-6-8-12(15)13(11)14(17)18/h6-8H,3-5,9-10,15H2,1-2H3,(H,17,18)
InChIKeySCNHAPLGQSRPGO-UHFFFAOYSA-N
XLogP2.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-[[ethyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 104824356
2-amino-6-[[ethyl(2-ethylbutyl)amino]methyl]benzoic acid
CID 104824377
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
2-amino-6-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoic acid
CID 104824358
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
2-amino-4-[2-[(dibutylamino)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405681
2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
CID 104824298
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid?
The IUPAC name of 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid (CID 104824272) is 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid is CCCCN(CC)Cc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid?
The InChIKey is SCNHAPLGQSRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-9-16(4-2)10-11-7-6-8-12(15)13(11)14(17)18/h6-8H,3-5,9-10,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid?
2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 104824272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).