2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol

C23H28FNO2 — CID 69339709

IUPAC2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
SMILESCOc1ccc(C=C2CCC(CN(C)C)C2(O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-20-10-9-19(13-17-7-11-22(27-3)12-8-17)23(20,26)15-18-5-4-6-21(24)14-18/h4-8,11-14,20,26H,9-10,15-16H2,1-3H3
InChIKeyZVCGWEKCZDPSJD-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.16
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol

2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol (PubChem CID 69339709) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
PubChem CID69339709
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
SMILESCOc1ccc(C=C2CCC(CN(C)C)C2(O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H28FNO2/c1-25(2)16-20-10-9-19(13-17-7-11-22(27-3)12-8-17)23(20,26)15-18-5-4-6-21(24)14-18/h4-8,11-14,20,26H,9-10,15-16H2,1-3H3
InChIKeyZVCGWEKCZDPSJD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol (CID 69339709) is 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol is COc1ccc(C=C2CCC(CN(C)C)C2(O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol?
The InChIKey is ZVCGWEKCZDPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-25(2)16-20-10-9-19(13-17-7-11-22(27-3)12-8-17)23(20,26)15-18-5-4-6-21(24)14-18/h4-8,11-14,20,26H,9-10,15-16H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol?
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-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 2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol is sourced from PubChem (CID 69339709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).