[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate

C19H29NO2 — CID 54437291

IUPAC[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate
SMILESCC(=O)OC1(CCN(C)C)CCCCC1c1cccc(C)c1
InChIInChI=1S/C19H29NO2/c1-15-8-7-9-17(14-15)18-10-5-6-11-19(18,22-16(2)21)12-13-20(3)4/h7-9,14,18H,5-6,10-13H2,1-4H3
InChIKeyWLPYJEKXZCJTTF-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.91
Rot. Bonds5

About [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate

[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate (PubChem CID 54437291) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate
PubChem CID54437291
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate
SMILESCC(=O)OC1(CCN(C)C)CCCCC1c1cccc(C)c1
InChIInChI=1S/C19H29NO2/c1-15-8-7-9-17(14-15)18-10-5-6-11-19(18,22-16(2)21)12-13-20(3)4/h7-9,14,18H,5-6,10-13H2,1-4H3
InChIKeyWLPYJEKXZCJTTF-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate (CID 54437291) is [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate is CC(=O)OC1(CCN(C)C)CCCCC1c1cccc(C)c1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate?
The InChIKey is WLPYJEKXZCJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15-8-7-9-17(14-15)18-10-5-6-11-19(18,22-16(2)21)12-13-20(3)4/h7-9,14,18H,5-6,10-13H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate?
[1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate has a molecular weight of 303.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)cyclohexyl] acetate is sourced from PubChem (CID 54437291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).