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

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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).