2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol

C24H31NO3 — CID 69339801

IUPAC2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(C=C2CCCC(CN(C)C)C2(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H31NO3/c1-25(2)17-21-9-5-7-19(15-18-11-13-22(27-3)14-12-18)24(21,26)20-8-6-10-23(16-20)28-4/h6,8,10-16,21,26H,5,7,9,17H2,1-4H3
InChIKeyKVVUOHFAKRIBOS-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69339801) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69339801
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(C=C2CCCC(CN(C)C)C2(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H31NO3/c1-25(2)17-21-9-5-7-19(15-18-11-13-22(27-3)14-12-18)24(21,26)20-8-6-10-23(16-20)28-4/h6,8,10-16,21,26H,5,7,9,17H2,1-4H3
InChIKeyKVVUOHFAKRIBOS-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-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol with MolForge

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Related Compounds

1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69339711
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 69339607
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
CID 69338917
1-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 24942721
(6E)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]-1-thiophen-2-ylcyclohexan-1-ol
CID 69340465
1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol;2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 157378321
2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
CID 69339680
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340248
(6E)-1-cyclopentyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339937
(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
1-cyclopentyl-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69338735

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69339801) is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1ccc(C=C2CCCC(CN(C)C)C2(O)c2cccc(OC)c2)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is KVVUOHFAKRIBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-25(2)17-21-9-5-7-19(15-18-11-13-22(27-3)14-12-18)24(21,26)20-8-6-10-23(16-20)28-4/h6,8,10-16,21,26H,5,7,9,17H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-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-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69339801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).