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

C46H58N2O4 — CID 159208466

IUPAC1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-methylphenyl)cyclopentan-1-ol
SMILESCOc1cccc(C=C2CCC(CN(C)C)C2(O)Cc2ccccc2)c1.COc1cccc(C=C2CCC(CN(C)C)C2(O)c2ccccc2C)c1
InChIInChI=1S/2C23H29NO2/c1-17-8-5-6-11-22(17)23(25)19(12-13-20(23)16-24(2)3)14-18-9-7-10-21(15-18)26-4;1-24(2)17-21-13-12-20(14-19-10-7-11-22(15-19)26-3)23(21,25)16-18-8-5-4-6-9-18/h5-11,14-15,20,25H,12-13,16H2,1-4H3;4-11,14-15,21,25H,12-13,16-17H2,1-3H3
InChIKeyKQELHFZVYKQXBK-UHFFFAOYSA-N
MW702.98 g/mol
LogP8.27
Rot. Bonds11

About 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

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 (PubChem CID 159208466) has the molecular formula C46H58N2O4 and a molecular weight of 702.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-methylphenyl)cyclopentan-1-ol
PubChem CID159208466
Molecular FormulaC46H58N2O4
Molecular Weight702.98 g/mol
Exact Mass702.44
IUPAC Name1-benzyl-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-methylphenyl)cyclopentan-1-ol
SMILESCOc1cccc(C=C2CCC(CN(C)C)C2(O)Cc2ccccc2)c1.COc1cccc(C=C2CCC(CN(C)C)C2(O)c2ccccc2C)c1
InChIInChI=1S/2C23H29NO2/c1-17-8-5-6-11-22(17)23(25)19(12-13-20(23)16-24(2)3)14-18-9-7-10-21(15-18)26-4;1-24(2)17-21-13-12-20(14-19-10-7-11-22(15-19)26-3)23(21,25)16-18-8-5-4-6-9-18/h5-11,14-15,20,25H,12-13,16H2,1-4H3;4-11,14-15,21,25H,12-13,16-17H2,1-3H3
InChIKeyKQELHFZVYKQXBK-UHFFFAOYSA-N
XLogP8.27
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.98
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340257
(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 22642597
(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
CID 22642957
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340248
(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
(6E)-1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339889
1-benzyl-2-benzylidene-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69339910
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 69340060
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708
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]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol;2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-methylphenyl)cyclopentan-1-ol?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(C=C2CCC(CN(C)C)C2(O)Cc2ccccc2)c1.COc1cccc(C=C2CCC(CN(C)C)C2(O)c2ccccc2C)c1.
What is the InChIKey of 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?
The InChIKey is KQELHFZVYKQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29NO2/c1-17-8-5-6-11-22(17)23(25)19(12-13-20(23)16-24(2)3)14-18-9-7-10-21(15-18)26-4;1-24(2)17-21-13-12-20(14-19-10-7-11-22(15-19)26-3)23(21,25)16-18-8-5-4-6-9-18/h5-11,14-15,20,25H,12-13,16H2,1-4H3;4-11,14-15,21,25H,12-13,16-17H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 702.98 g/mol, XLogP of 8.27, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159208466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).