2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol

C24H33NO2 — CID 10270341

IUPAC2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-25(2)18-22-17-20(10-9-19-7-5-4-6-8-19)15-16-24(22,26)21-11-13-23(27-3)14-12-21/h4-8,11-14,20,22,26H,9-10,15-18H2,1-3H3
InChIKeyAMFYOIIEDHVTOB-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.49
Rot. Bonds7

About 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 10270341) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
PubChem CID10270341
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-25(2)18-22-17-20(10-9-19-7-5-4-6-8-19)15-16-24(22,26)21-11-13-23(27-3)14-12-21/h4-8,11-14,20,22,26H,9-10,15-18H2,1-3H3
InChIKeyAMFYOIIEDHVTOB-UHFFFAOYSA-N
XLogP4.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)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

2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10292300
2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
4-benzylsulfonyl-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 156703355
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
CID 67642002
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine
CID 23105876
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
CID 11161337

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol (CID 10270341) is 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol is COc1ccc(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is AMFYOIIEDHVTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-25(2)18-22-17-20(10-9-19-7-5-4-6-8-19)15-16-24(22,26)21-11-13-23(27-3)14-12-21/h4-8,11-14,20,22,26H,9-10,15-18H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 10270341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).