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

C14H21NO2 — CID 55107941

IUPAC2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
SMILESCCN(CC(C)C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H21NO2/c1-5-15(9-10(2)3)13-8-11(4)6-7-12(13)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyXUYQXMGIUIGZSV-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.18
Rot. Bonds5

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

2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid (PubChem CID 55107941) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
PubChem CID55107941
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
SMILESCCN(CC(C)C)c1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H21NO2/c1-5-15(9-10(2)3)13-8-11(4)6-7-12(13)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyXUYQXMGIUIGZSV-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
2-[ethyl(methyl)amino]-4-methylbenzoic acid
CID 62703009
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
2-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 107281883
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-(diethylamino)-4-ethylbenzoic acid
CID 70604217
3-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 82800459
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid (CID 55107941) is 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid is CCN(CC(C)C)c1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
The InChIKey is XUYQXMGIUIGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(9-10(2)3)13-8-11(4)6-7-12(13)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid?
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid has a molecular weight of 235.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 55107941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).