1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one

C12H15Cl2NO — CID 82100707

IUPAC1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,15H,3,6H2,1-2H3
InChIKeyAZJYHELIRFYJOX-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.56
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one

1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one (PubChem CID 82100707) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
PubChem CID82100707
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,15H,3,6H2,1-2H3
InChIKeyAZJYHELIRFYJOX-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
CID 71314367
4-(3,4-dichlorophenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322800
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
CID 112512675
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
1-(3,4-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;hydrochloride
CID 169435148
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923350

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one (CID 82100707) is 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one is CCCNC(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one?
The InChIKey is AZJYHELIRFYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,15H,3,6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one?
1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one has a molecular weight of 260.16 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one is sourced from PubChem (CID 82100707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).