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

C24H31NO2 — CID 69339642

IUPAC(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h4-6,8-9,12-16,22,26H,7,10-11,17-18H2,1-3H3/b21-16+
InChIKeyIAYYQYIWKBZFKF-LTGZKZEYSA-N
MW365.52 g/mol
LogP4.41
Rot. Bonds6

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

(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (PubChem CID 69339642) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
PubChem CID69339642
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
SMILESCOc1ccc(/C=C2\CCCC(CN(C)C)C2(O)Cc2ccccc2)cc1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h4-6,8-9,12-16,22,26H,7,10-11,17-18H2,1-3H3/b21-16+
InChIKeyIAYYQYIWKBZFKF-LTGZKZEYSA-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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Frequently Asked Questions

What is the IUPAC name of (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol (CID 69339642) is (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is COc1ccc(/C=C2\CCCC(CN(C)C)C2(O)Cc2ccccc2)cc1.
What is the InChIKey of (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
The InChIKey is IAYYQYIWKBZFKF-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-25(2)18-22-11-7-10-21(16-19-12-14-23(27-3)15-13-19)24(22,26)17-20-8-5-4-6-9-20/h4-6,8-9,12-16,22,26H,7,10-11,17-18H2,1-3H3/b21-16+.
What are the key properties of (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol?
(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-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 (6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 69339642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).