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

C23H28FNO2 — CID 22642597

IUPAC(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
SMILESCOc1cccc(/C=C2\CCC(CN(C)C)C2(O)Cc2cccc(F)c2)c1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-20-11-10-19(12-17-6-5-9-22(14-17)27-3)23(20,26)15-18-7-4-8-21(24)13-18/h4-9,12-14,20,26H,10-11,15-16H2,1-3H3/b19-12+
InChIKeyODQYEGQEOJDZHY-XDHOZWIPSA-N
MW369.48 g/mol
LogP4.16
Rot. Bonds6

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

(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol (PubChem CID 22642597) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol.

Molecular Properties

Compound Name(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
PubChem CID22642597
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
SMILESCOc1cccc(/C=C2\CCC(CN(C)C)C2(O)Cc2cccc(F)c2)c1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-20-11-10-19(12-17-6-5-9-22(14-17)27-3)23(20,26)15-18-7-4-8-21(24)13-18/h4-9,12-14,20,26H,10-11,15-16H2,1-3H3/b19-12+
InChIKeyODQYEGQEOJDZHY-XDHOZWIPSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]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

Related Compounds

2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
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]-5-[(3-methoxyphenyl)methylidene]-1-(2-phenylethyl)cyclopentan-1-ol
CID 22642957
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
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
(6E)-1-[(2-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339889
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 69340060
(6E)-1-benzyl-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339642
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69340248
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708
(2Z)-1-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol
CID 22642583

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol?
The IUPAC name of (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol (CID 22642597) is (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol.
What is the SMILES notation for (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol?
The canonical SMILES for (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol is COc1cccc(/C=C2\CCC(CN(C)C)C2(O)Cc2cccc(F)c2)c1.
What is the InChIKey of (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol?
The InChIKey is ODQYEGQEOJDZHY-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-25(2)16-20-11-10-19(12-17-6-5-9-22(14-17)27-3)23(20,26)15-18-7-4-8-21(24)13-18/h4-9,12-14,20,26H,10-11,15-16H2,1-3H3/b19-12+.
What are the key properties of (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol?
(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol has a molecular weight of 369.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol is sourced from PubChem (CID 22642597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).