2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride

C20H24ClNO — CID 3024642

IUPAC2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1(NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO.ClH/c22-19-13-7-8-15-20(19,18-11-5-2-6-12-18)21-16-14-17-9-3-1-4-10-17;/h1-6,9-12,21H,7-8,13-16H2;1H
InChIKeySOJNRMFEWLPYNM-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.28
Rot. Bonds5

About 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride

2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride (PubChem CID 3024642) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride
PubChem CID3024642
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1(NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO.ClH/c22-19-13-7-8-15-20(19,18-11-5-2-6-12-18)21-16-14-17-9-3-1-4-10-17;/h1-6,9-12,21H,7-8,13-16H2;1H
InChIKeySOJNRMFEWLPYNM-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride?
The IUPAC name of 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride (CID 3024642) is 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride is Cl.O=C1CCCCC1(NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride?
The InChIKey is SOJNRMFEWLPYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c22-19-13-7-8-15-20(19,18-11-5-2-6-12-18)21-16-14-17-9-3-1-4-10-17;/h1-6,9-12,21H,7-8,13-16H2;1H.
What are the key properties of 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride?
2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 3024642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).