2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride

C17H20ClNO — CID 15945335

IUPAC2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCN(C)C(Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18(2)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H
InChIKeyKCCSZICFICZUGU-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.46
Rot. Bonds5

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

2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride (PubChem CID 15945335) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
PubChem CID15945335
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
SMILESCN(C)C(Cc1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18(2)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H
InChIKeyKCCSZICFICZUGU-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-3-phenylpropan-1-one
CID 67723970
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125
2-(dimethylamino)-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 12727858
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
CID 23298527
3-(5-acetyl-2-methoxyphenyl)-2-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
CID 12006231
6-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]-4H-1,4-benzoxazin-3-one
CID 2398221
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride (CID 15945335) is 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride is CN(C)C(Cc1ccccc1)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is KCCSZICFICZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18(2)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride?
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 15945335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).