5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride

C19H24ClNO — CID 3029725

IUPAC5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride
SMILESCN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20(2)14-13-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,18H,13-15H2,1-2H3;1H
InChIKeyRBUZBRMFALWQMK-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.96
Rot. Bonds7

About 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride

5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride (PubChem CID 3029725) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride.

Molecular Properties

Compound Name5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride
PubChem CID3029725
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride
SMILESCN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20(2)14-13-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,18H,13-15H2,1-2H3;1H
InChIKeyRBUZBRMFALWQMK-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride?
The IUPAC name of 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride (CID 3029725) is 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride.
What is the SMILES notation for 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride?
The canonical SMILES for 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride is CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride?
The InChIKey is RBUZBRMFALWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-20(2)14-13-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,18H,13-15H2,1-2H3;1H.
What are the key properties of 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride?
5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,2-diphenylpentan-3-one;hydrochloride is sourced from PubChem (CID 3029725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).