1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one

C25H33NO2 — CID 15105905

IUPAC1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one
SMILESCN(C)Cc1ccc(CCC(=O)C(O)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c1-26(2)19-21-15-13-20(14-16-21)17-18-24(27)25(28,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-16,23,28H,4,7-8,11-12,17-19H2,1-2H3
InChIKeyPBHSUQPLHKTOFK-UHFFFAOYSA-N
MW379.54 g/mol
LogP4.72
Rot. Bonds8

About 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one

1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one (PubChem CID 15105905) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one
PubChem CID15105905
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one
SMILESCN(C)Cc1ccc(CCC(=O)C(O)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c1-26(2)19-21-15-13-20(14-16-21)17-18-24(27)25(28,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-16,23,28H,4,7-8,11-12,17-19H2,1-2H3
InChIKeyPBHSUQPLHKTOFK-UHFFFAOYSA-N
XLogP4.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one?
The IUPAC name of 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one (CID 15105905) is 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one?
The canonical SMILES for 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one is CN(C)Cc1ccc(CCC(=O)C(O)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one?
The InChIKey is PBHSUQPLHKTOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-26(2)19-21-15-13-20(14-16-21)17-18-24(27)25(28,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-16,23,28H,4,7-8,11-12,17-19H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one?
1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one has a molecular weight of 379.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-[(dimethylamino)methyl]phenyl]-1-hydroxy-1-phenylbutan-2-one is sourced from PubChem (CID 15105905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).