6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride

C21H28ClNO — CID 14184

IUPAC6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
InChIKeyFJQXCDYVZAHXNS-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.71
Rot. Bonds7

About 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride (PubChem CID 14184) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride
PubChem CID14184
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
InChIKeyFJQXCDYVZAHXNS-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride (CID 14184) is 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride is CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride?
The InChIKey is FJQXCDYVZAHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H.
What are the key properties of 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride?
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride is sourced from PubChem (CID 14184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).