3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid

C18H27NO2 — CID 65066434

IUPAC3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(C)NC2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-11-8-12(2)17(13(3)9-11)14(4)19-16-7-5-6-15(10-16)18(20)21/h8-9,14-16,19H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyYSCNOHGBWAZDPU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.91
Rot. Bonds4

About 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid

3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 65066434) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID65066434
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C(C)NC2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-11-8-12(2)17(13(3)9-11)14(4)19-16-7-5-6-15(10-16)18(20)21/h8-9,14-16,19H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyYSCNOHGBWAZDPU-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1R)-1-(2-methylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881612
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
3-[1-(4-iodophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 114083263
3-[1-(5-bromofuran-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 113437711
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 106282338

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 65066434) is 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid is Cc1cc(C)c(C(C)NC2CCCC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YSCNOHGBWAZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11-8-12(2)17(13(3)9-11)14(4)19-16-7-5-6-15(10-16)18(20)21/h8-9,14-16,19H,5-7,10H2,1-4H3,(H,20,21).
What are the key properties of 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid?
3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4,6-trimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65066434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).