4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one

C20H24ClNO — CID 10246034

IUPAC4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO/c1-4-19(23)20(14-15-22(2)3,16-8-6-5-7-9-16)17-10-12-18(21)13-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyJPVBIXUDJJVGBR-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.56
Rot. Bonds7

About 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one

4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one (PubChem CID 10246034) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one
PubChem CID10246034
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one
SMILESCCC(=O)C(CCN(C)C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO/c1-4-19(23)20(14-15-22(2)3,16-8-6-5-7-9-16)17-10-12-18(21)13-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyJPVBIXUDJJVGBR-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methadone
CID 4095
Normethadone
CID 10090
Methadone Hydrochloride
CID 14184
Levomethadone
CID 22267
(+)-Methadone
CID 643985
Isomethadone
CID 10072
Hptp
CID 171187
Norpipanone
CID 22391
Levomethadone hydrochloride
CID 22266
3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride
CID 12313558
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one?
The IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one (CID 10246034) is 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one is CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one?
The InChIKey is JPVBIXUDJJVGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-4-19(23)20(14-15-22(2)3,16-8-6-5-7-9-16)17-10-12-18(21)13-11-17/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one?
4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one has a molecular weight of 329.87 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(dimethylamino)-4-phenylhexan-3-one is sourced from PubChem (CID 10246034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).