[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

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Related Compounds

2-[1-hydroxy-2-(3-methylphenyl)cyclohexyl]ethyl 4-methylbenzenesulfonate
CID 54110756
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
CID 82245972
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
3-[4-[(2S)-2-(3-methylphenyl)azepan-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97007106
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82086841
methyl (4S)-6-ethyl-4-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10637260

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).