(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one

C13H17Cl2NO — CID 155260604

IUPAC(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)C(CCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(5-6-16)9-3-4-11(14)12(15)7-9/h3-4,7-8,10H,5-6,16H2,1-2H3
InChIKeyBXYLBSPIEWKCMJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.65
Rot. Bonds5

About (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one

(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one (PubChem CID 155260604) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
PubChem CID155260604
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)C(CCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(5-6-16)9-3-4-11(14)12(15)7-9/h3-4,7-8,10H,5-6,16H2,1-2H3
InChIKeyBXYLBSPIEWKCMJ-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
CID 143606930
(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59670756
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671063
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
2-chloro-3-(3,4-dichlorophenyl)butanoic acid
CID 83662565
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one?
The IUPAC name of (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one (CID 155260604) is (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one.
What is the SMILES notation for (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one?
The canonical SMILES for (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one is CC(C)C(=O)C(CCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one?
The InChIKey is BXYLBSPIEWKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(5-6-16)9-3-4-11(14)12(15)7-9/h3-4,7-8,10H,5-6,16H2,1-2H3.
What are the key properties of (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one?
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one has a molecular weight of 274.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one is sourced from PubChem (CID 155260604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).