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

C24H31NO2 — CID 69340257

IUPAC1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1cccc(C=C2CCCC(CN(C)C)C2(O)Cc2ccccc2)c1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-13-8-12-21(15-20-11-7-14-23(16-20)27-3)24(22,26)17-19-9-5-4-6-10-19/h4-7,9-11,14-16,22,26H,8,12-13,17-18H2,1-3H3
InChIKeyZIHVXVZJECTIOG-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.41
Rot. Bonds6

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

1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69340257) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69340257
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1cccc(C=C2CCCC(CN(C)C)C2(O)Cc2ccccc2)c1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-13-8-12-21(15-20-11-7-14-23(16-20)27-3)24(22,26)17-19-9-5-4-6-10-19/h4-7,9-11,14-16,22,26H,8,12-13,17-18H2,1-3H3
InChIKeyZIHVXVZJECTIOG-UHFFFAOYSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 158676866
1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69339910
(6E)-1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339889
(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 22642597
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
(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
CID 22642957
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 69340060
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340248
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
2-benzylidene-6-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 69339651
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69340257) is 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1cccc(C=C2CCCC(CN(C)C)C2(O)Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is ZIHVXVZJECTIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-25(2)18-22-13-8-12-21(15-20-11-7-14-23(16-20)27-3)24(22,26)17-19-9-5-4-6-10-19/h4-7,9-11,14-16,22,26H,8,12-13,17-18H2,1-3H3.
What are the key properties of 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol?
1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69340257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).