4-[2-cyclohexylethyl(methyl)amino]benzoic acid

C16H23NO2 — CID 58347543

IUPAC4-[2-cyclohexylethyl(methyl)amino]benzoic acid
SMILESCN(CCC1CCCCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-17(12-11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(18)19/h7-10,13H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyUJKDPKYCJXKVQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.79
Rot. Bonds5

About 4-[2-cyclohexylethyl(methyl)amino]benzoic acid

4-[2-cyclohexylethyl(methyl)amino]benzoic acid (PubChem CID 58347543) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-cyclohexylethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[2-cyclohexylethyl(methyl)amino]benzoic acid
PubChem CID58347543
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[2-cyclohexylethyl(methyl)amino]benzoic acid
SMILESCN(CCC1CCCCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-17(12-11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(18)19/h7-10,13H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyUJKDPKYCJXKVQI-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041491
4-[[[2-cyclohexylethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 122019621
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251
4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115124009
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
N-(2-cyclopentylethyl)-N-phenylacetamide
CID 57298515
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
3-bromo-5-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 102822872
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
(2S)-1-[4-[methyl(propyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119366172

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexylethyl(methyl)amino]benzoic acid?
The IUPAC name of 4-[2-cyclohexylethyl(methyl)amino]benzoic acid (CID 58347543) is 4-[2-cyclohexylethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 4-[2-cyclohexylethyl(methyl)amino]benzoic acid?
The canonical SMILES for 4-[2-cyclohexylethyl(methyl)amino]benzoic acid is CN(CCC1CCCCC1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-cyclohexylethyl(methyl)amino]benzoic acid?
The InChIKey is UJKDPKYCJXKVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(12-11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)16(18)19/h7-10,13H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of 4-[2-cyclohexylethyl(methyl)amino]benzoic acid?
4-[2-cyclohexylethyl(methyl)amino]benzoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexylethyl(methyl)amino]benzoic acid is sourced from PubChem (CID 58347543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).