2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid

C13H20N2O3 — CID 81304682

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
SMILESCCN(C)CCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(2)8-7-14-12-9-10(18-3)5-6-11(12)13(16)17/h5-6,9,14H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyQPDZTUJKANMZNJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.76
Rot. Bonds7

About 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid

2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid (PubChem CID 81304682) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
PubChem CID81304682
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
SMILESCCN(C)CCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-15(2)8-7-14-12-9-10(18-3)5-6-11(12)13(16)17/h5-6,9,14H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyQPDZTUJKANMZNJ-UHFFFAOYSA-N
XLogP1.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[2-[ethyl(methyl)amino]ethylamino]benzoic acid
CID 114907266
2-(3-ethoxypropylamino)-4-methoxybenzoic acid
CID 81305278
4-methoxy-2-(3-propoxypropylamino)benzoic acid
CID 82947075
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methoxybenzoic acid
CID 106248544
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
CID 81305282
4-methoxy-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenecarbothioamide
CID 81305583
2-amino-3-[2-[ethyl(methyl)amino]ethylamino]benzoic acid
CID 115545898
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid (CID 81304682) is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid is CCN(C)CCNc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid?
The InChIKey is QPDZTUJKANMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(2)8-7-14-12-9-10(18-3)5-6-11(12)13(16)17/h5-6,9,14H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid?
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 81304682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).