5-amino-3-(3,4-dichlorophenyl)pentan-2-one

C11H13Cl2NO — CID 142270867

IUPAC5-amino-3-(3,4-dichlorophenyl)pentan-2-one
SMILESCC(=O)C(CCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-7(15)9(4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,14H2,1H3
InChIKeyBPXKPWCLAPOKFO-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.01
Rot. Bonds4

About 5-amino-3-(3,4-dichlorophenyl)pentan-2-one

5-amino-3-(3,4-dichlorophenyl)pentan-2-one (PubChem CID 142270867) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-amino-3-(3,4-dichlorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-3-(3,4-dichlorophenyl)pentan-2-one
PubChem CID142270867
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name5-amino-3-(3,4-dichlorophenyl)pentan-2-one
SMILESCC(=O)C(CCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-7(15)9(4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,14H2,1H3
InChIKeyBPXKPWCLAPOKFO-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
5-amino-3-(4-chloro-3-fluorophenyl)hexan-2-one
CID 143606857
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
1-[5-(4-amino-1,2-dihydroxybutyl)-2-chlorophenyl]ethanone
CID 171881579
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
4-(1-aminocyclopropyl)-3-(4-chloro-3-fluorophenyl)butan-2-one;ethane
CID 143606824
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
CID 71239032

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,4-dichlorophenyl)pentan-2-one?
The IUPAC name of 5-amino-3-(3,4-dichlorophenyl)pentan-2-one (CID 142270867) is 5-amino-3-(3,4-dichlorophenyl)pentan-2-one.
What is the SMILES notation for 5-amino-3-(3,4-dichlorophenyl)pentan-2-one?
The canonical SMILES for 5-amino-3-(3,4-dichlorophenyl)pentan-2-one is CC(=O)C(CCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-amino-3-(3,4-dichlorophenyl)pentan-2-one?
The InChIKey is BPXKPWCLAPOKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7(15)9(4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,14H2,1H3.
What are the key properties of 5-amino-3-(3,4-dichlorophenyl)pentan-2-one?
5-amino-3-(3,4-dichlorophenyl)pentan-2-one has a molecular weight of 246.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,4-dichlorophenyl)pentan-2-one is sourced from PubChem (CID 142270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).