(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol

C24H31NO2 — CID 22642957

IUPAC(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
SMILESCOc1cccc(/C=C2\CCC(CN(C)C)C2(O)CCc2ccccc2)c1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-13-12-21(16-20-10-7-11-23(17-20)27-3)24(22,26)15-14-19-8-5-4-6-9-19/h4-11,16-17,22,26H,12-15,18H2,1-3H3/b21-16+
InChIKeyIWQAPBHEIGNIRU-LTGZKZEYSA-N
MW365.52 g/mol
LogP4.41
Rot. Bonds7

About (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol

(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol (PubChem CID 22642957) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
PubChem CID22642957
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
SMILESCOc1cccc(/C=C2\CCC(CN(C)C)C2(O)CCc2ccccc2)c1
InChIInChI=1S/C24H31NO2/c1-25(2)18-22-13-12-21(16-20-10-7-11-23(17-20)27-3)24(22,26)15-14-19-8-5-4-6-9-19/h4-11,16-17,22,26H,12-15,18H2,1-3H3/b21-16+
InChIKeyIWQAPBHEIGNIRU-LTGZKZEYSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol (CID 22642957) is (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol is COc1cccc(/C=C2\CCC(CN(C)C)C2(O)CCc2ccccc2)c1.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol?
The InChIKey is IWQAPBHEIGNIRU-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-25(2)18-22-13-12-21(16-20-10-7-11-23(17-20)27-3)24(22,26)15-14-19-8-5-4-6-9-19/h4-11,16-17,22,26H,12-15,18H2,1-3H3/b21-16+.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol?
(5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol is sourced from PubChem (CID 22642957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).