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

C12H17NO2 — CID 43265964

IUPAC4-[ethyl(propan-2-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)cc1)C(C)C
InChIInChI=1S/C12H17NO2/c1-4-13(9(2)3)11-7-5-10(6-8-11)12(14)15/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyOFIZSJNBRIZWGJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.62
Rot. Bonds4

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

4-[ethyl(propan-2-yl)amino]benzoic acid (PubChem CID 43265964) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]benzoic acid
PubChem CID43265964
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[ethyl(propan-2-yl)amino]benzoic acid
SMILESCCN(c1ccc(C(=O)O)cc1)C(C)C
InChIInChI=1S/C12H17NO2/c1-4-13(9(2)3)11-7-5-10(6-8-11)12(14)15/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyOFIZSJNBRIZWGJ-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361
2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
CID 43361897
4-[bis(ethylsulfonyl)amino]benzoic acid
CID 138334549
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
4-[butan-2-yl(carbamoyl)amino]benzoic acid
CID 67181418
ethane-1,1-diol;terephthalic acid
CID 68971815
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]benzoic acid?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]benzoic acid (CID 43265964) is 4-[ethyl(propan-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]benzoic acid is CCN(c1ccc(C(=O)O)cc1)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]benzoic acid?
The InChIKey is OFIZSJNBRIZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(9(2)3)11-7-5-10(6-8-11)12(14)15/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of 4-[ethyl(propan-2-yl)amino]benzoic acid?
4-[ethyl(propan-2-yl)amino]benzoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]benzoic acid is sourced from PubChem (CID 43265964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).