2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol

C24H31NO3 — CID 69340248

IUPAC2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1cccc(C=C2CCCC(CN(C)C)C2(O)c2ccccc2OC)c1
InChIInChI=1S/C24H31NO3/c1-25(2)17-20-11-8-10-19(15-18-9-7-12-21(16-18)27-3)24(20,26)22-13-5-6-14-23(22)28-4/h5-7,9,12-16,20,26H,8,10-11,17H2,1-4H3
InChIKeyJLYPWOZLFNUDKX-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69340248) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69340248
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1cccc(C=C2CCCC(CN(C)C)C2(O)c2ccccc2OC)c1
InChIInChI=1S/C24H31NO3/c1-25(2)17-20-11-8-10-19(15-18-9-7-12-21(16-18)27-3)24(20,26)22-13-5-6-14-23(22)28-4/h5-7,9,12-16,20,26H,8,10-11,17H2,1-4H3
InChIKeyJLYPWOZLFNUDKX-UHFFFAOYSA-N
XLogP4.34
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708
1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340257
1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-methylphenyl)cyclopentan-1-ol
CID 159208466
(6E)-1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339889
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
CID 69338917
(6E)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]-1-thiophen-2-ylcyclohexan-1-ol
CID 69340465
(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
CID 22642957
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69339711
(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
CID 10290981
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 18974540
2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
CID 69339680

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69340248) is 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1cccc(C=C2CCCC(CN(C)C)C2(O)c2ccccc2OC)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is JLYPWOZLFNUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-25(2)17-20-11-8-10-19(15-18-9-7-12-21(16-18)27-3)24(20,26)22-13-5-6-14-23(22)28-4/h5-7,9,12-16,20,26H,8,10-11,17H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol has a molecular weight of 381.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69340248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).