(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol

C25H33NO2 — CID 69338708

About (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol

(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol (PubChem CID 69338708) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol.

Molecular Properties

• Compound Name: (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
• PubChem CID: 69338708
• Molecular Formula: C25H33NO2
• Molecular Weight: 379.54 g/mol
• Exact Mass: 379.25
• IUPAC Name: (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
• SMILES: COc1cccc(/C=C2\CCCCC(CN(C)C)C2(O)c2cccc(C)c2)c1
• InChI: InChI=1S/C25H33NO2/c1-19-9-7-13-21(15-19)25(27)22(11-5-6-12-23(25)18-26(2)3)16-20-10-8-14-24(17-20)28-4/h7-10,13-17,23,27H,5-6,11-12,18H2,1-4H3/b22-16+
• InChIKey: OUJYFOITGUFOTK-CJLVFECKSA-N
• XLogP: 5.03
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.54
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol?

The IUPAC name of (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol (CID 69338708) is (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol.

What is the SMILES notation for (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol?

The canonical SMILES for (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol is COc1cccc(/C=C2\CCCCC(CN(C)C)C2(O)c2cccc(C)c2)c1.

What is the InChIKey of (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol?

The InChIKey is OUJYFOITGUFOTK-CJLVFECKSA-N. The full InChI is InChI=1S/C25H33NO2/c1-19-9-7-13-21(15-19)25(27)22(11-5-6-12-23(25)18-26(2)3)16-20-10-8-14-24(17-20)28-4/h7-10,13-17,23,27H,5-6,11-12,18H2,1-4H3/b22-16+.

What are the key properties of (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol?

(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol has a molecular weight of 379.54 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 69338708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).