1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride

C17H20ClNO — CID 12910708

IUPAC1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
SMILESCC(Cc1ccccc1)NCC(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-14(12-15-8-4-2-5-9-15)18-13-17(19)16-10-6-3-7-11-16;/h2-11,14,18H,12-13H2,1H3;1H
InChIKeyYPJZDUWLPYYGAS-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.51
Rot. Bonds6

About 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride

1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride (PubChem CID 12910708) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
PubChem CID12910708
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
SMILESCC(Cc1ccccc1)NCC(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-14(12-15-8-4-2-5-9-15)18-13-17(19)16-10-6-3-7-11-16;/h2-11,14,18H,12-13H2,1H3;1H
InChIKeyYPJZDUWLPYYGAS-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138398701
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CID 22214099
(1-phenylpropan-2-ylamino)methanol
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1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone;hydrobromide
CID 3014195
2-[[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]amino]-1-phenylethanone
CID 118243405
(2S)-2-amino-N-phenacyl-3-phenylpropanamide
CID 54565286
methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
CID 58817588
3-methyl-2-(phenacylamino)butanoate
CID 22284120
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
CID 92938916

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride?
The IUPAC name of 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride (CID 12910708) is 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride?
The canonical SMILES for 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride is CC(Cc1ccccc1)NCC(=O)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride?
The InChIKey is YPJZDUWLPYYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-14(12-15-8-4-2-5-9-15)18-13-17(19)16-10-6-3-7-11-16;/h2-11,14,18H,12-13H2,1H3;1H.
What are the key properties of 1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride?
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.51, 6 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)ethanone;hydrochloride is sourced from PubChem (CID 12910708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).