1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride

C20H26ClNO — CID 22297830

IUPAC1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
SMILESCCCC(NC(C)Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-3-10-19(20(22)18-13-8-5-9-14-18)21-16(2)15-17-11-6-4-7-12-17;/h4-9,11-14,16,19,21H,3,10,15H2,1-2H3;1H
InChIKeyJQQAYTLCJYLHKL-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.68
Rot. Bonds8

About 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride

1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride (PubChem CID 22297830) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
PubChem CID22297830
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
SMILESCCCC(NC(C)Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-3-10-19(20(22)18-13-8-5-9-14-18)21-16(2)15-17-11-6-4-7-12-17;/h4-9,11-14,16,19,21H,3,10,15H2,1-2H3;1H
InChIKeyJQQAYTLCJYLHKL-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
CID 172871870
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581
(2S)-2-(5-methylhexan-2-ylamino)-3-phenylpropanoic acid
CID 122037626
2-(hexan-3-ylamino)-2-hydroxy-1-phenylethanone
CID 70513847

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride?
The IUPAC name of 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride (CID 22297830) is 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride?
The canonical SMILES for 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride is CCCC(NC(C)Cc1ccccc1)C(=O)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride?
The InChIKey is JQQAYTLCJYLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-3-10-19(20(22)18-13-8-5-9-14-18)21-16(2)15-17-11-6-4-7-12-17;/h4-9,11-14,16,19,21H,3,10,15H2,1-2H3;1H.
What are the key properties of 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride?
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride is sourced from PubChem (CID 22297830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).