2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid

C15H23NO3 — CID 62701501

IUPAC2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
SMILESCOCCN(CC(C)C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-11(2)10-16(7-8-19-4)14-9-12(3)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyWNFFJJLRNGDYBL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.80
Rot. Bonds7

About 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid

2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid (PubChem CID 62701501) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
PubChem CID62701501
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
SMILESCOCCN(CC(C)C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-11(2)10-16(7-8-19-4)14-9-12(3)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyWNFFJJLRNGDYBL-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 81304692
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
CID 54593533
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
2-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)aniline
CID 62308997
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 81300936
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
3-fluoro-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 55101867

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid (CID 62701501) is 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid is COCCN(CC(C)C)c1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The InChIKey is WNFFJJLRNGDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)10-16(7-8-19-4)14-9-12(3)5-6-13(14)15(17)18/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 62701501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).