3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one

C17H18ClNO — CID 3275442

IUPAC3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one
SMILESCN(C)C(Cc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19(2)16(12-13-8-10-15(18)11-9-13)17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChIKeyOLECSGBOBNAYIV-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.70
Rot. Bonds5

About 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one

3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one (PubChem CID 3275442) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one
PubChem CID3275442
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one
SMILESCN(C)C(Cc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-19(2)16(12-13-8-10-15(18)11-9-13)17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChIKeyOLECSGBOBNAYIV-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bupropion
CID 444
Hptp
CID 171187
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
(R)-Bupropion
CID 688387
2-(Tert-butylamino)-1-(3-chlorophenyl)butan-1-one
CID 3027752
2-(Tert-butylamino)-1-(3-chlorophenyl)pentan-1-one
CID 3029724
1-(3-Chlorophenyl)-2-(dimethylamino)propan-1-one
CID 43794735
4-Chloro-alpha-PVP
CID 69245309
Clephedrone
CID 82100418
(S)-Bupropion
CID 667684
2-(tert-Butylamino)-4'-chloropropiophenone
CID 3031066
1-(3-Chlorophenyl)-2-(piperidin-1-yl)propan-1-one
CID 43227131

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one (CID 3275442) is 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one is CN(C)C(Cc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one?
The InChIKey is OLECSGBOBNAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19(2)16(12-13-8-10-15(18)11-9-13)17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one?
3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one has a molecular weight of 287.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 3275442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).