2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one

C13H17Cl2NO — CID 143606930

IUPAC2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
SMILESCNCC(C(=O)C(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(7-16-3)9-4-5-11(14)12(15)6-9/h4-6,8,10,16H,7H2,1-3H3
InChIKeyAUSLBFZXZSAUTQ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.52
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one

2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one (PubChem CID 143606930) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
PubChem CID143606930
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
SMILESCNCC(C(=O)C(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(7-16-3)9-4-5-11(14)12(15)6-9/h4-6,8,10,16H,7H2,1-3H3
InChIKeyAUSLBFZXZSAUTQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59670756
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671063
N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one (CID 143606930) is 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one is CNCC(C(=O)C(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one?
The InChIKey is AUSLBFZXZSAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)13(17)10(7-16-3)9-4-5-11(14)12(15)6-9/h4-6,8,10,16H,7H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one?
2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one has a molecular weight of 274.19 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one is sourced from PubChem (CID 143606930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).