4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol

C24H39NO2 — CID 67642002

IUPAC4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
SMILESCCOc1cccc(C2(O)CCC(CCC3CCCC3)CC2CN(C)C)c1
InChIInChI=1S/C24H39NO2/c1-4-27-23-11-7-10-21(17-23)24(26)15-14-20(16-22(24)18-25(2)3)13-12-19-8-5-6-9-19/h7,10-11,17,19-20,22,26H,4-6,8-9,12-16,18H2,1-3H3
InChIKeyZYODEWYATNSTLB-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.22
Rot. Bonds8

About 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol

4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol (PubChem CID 67642002) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
PubChem CID67642002
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
SMILESCCOc1cccc(C2(O)CCC(CCC3CCCC3)CC2CN(C)C)c1
InChIInChI=1S/C24H39NO2/c1-4-27-23-11-7-10-21(17-23)24(26)15-14-20(16-22(24)18-25(2)3)13-12-19-8-5-6-9-19/h7,10-11,17,19-20,22,26H,4-6,8-9,12-16,18H2,1-3H3
InChIKeyZYODEWYATNSTLB-UHFFFAOYSA-N
XLogP5.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol 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

cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] cyclopentanecarboxylate
CID 69135557
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
4-benzylsulfonyl-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 156703355
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 2-hydroxybenzoate
CID 69135770
1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314856
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 76966629
2-[(dimethylamino)methyl]-1-(3-phenylmethoxyphenyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 18935039

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol (CID 67642002) is 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol is CCOc1cccc(C2(O)CCC(CCC3CCCC3)CC2CN(C)C)c1.
What is the InChIKey of 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol?
The InChIKey is ZYODEWYATNSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-27-23-11-7-10-21(17-23)24(26)15-14-20(16-22(24)18-25(2)3)13-12-19-8-5-6-9-19/h7,10-11,17,19-20,22,26H,4-6,8-9,12-16,18H2,1-3H3.
What are the key properties of 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol?
4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol has a molecular weight of 373.58 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 67642002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).