2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid

C13H20N2O3 — CID 104500467

IUPAC2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C(C)COC
InChIInChI=1S/C13H20N2O3/c1-4-15(9(2)8-18-3)10-5-6-11(13(16)17)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3,(H,16,17)
InChIKeySDLXENAWXWXCDI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid

2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid (PubChem CID 104500467) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid
PubChem CID104500467
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)c(N)c1)C(C)COC
InChIInChI=1S/C13H20N2O3/c1-4-15(9(2)8-18-3)10-5-6-11(13(16)17)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3,(H,16,17)
InChIKeySDLXENAWXWXCDI-UHFFFAOYSA-N
XLogP1.83
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
CID 79600850
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
2-amino-4-[2-cyanoethyl(propan-2-yl)amino]benzoic acid
CID 113419770
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
2-amino-4-[cyclopropyl(ethyl)amino]benzoic acid
CID 104500225
2-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
2-[ethyl(1-methoxypropan-2-yl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702861
4-[ethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55008853
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
methyl 4-amino-3-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 82785013

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The IUPAC name of 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid (CID 104500467) is 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The canonical SMILES for 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid is CCN(c1ccc(C(=O)O)c(N)c1)C(C)COC.
What is the InChIKey of 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid?
The InChIKey is SDLXENAWXWXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(9(2)8-18-3)10-5-6-11(13(16)17)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid?
2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(1-methoxypropan-2-yl)amino]benzoic acid is sourced from PubChem (CID 104500467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).