3-amino-1-(2,5-dichlorophenyl)pentan-2-one

C11H13Cl2NO — CID 116584058

IUPAC3-amino-1-(2,5-dichlorophenyl)pentan-2-one
SMILESCCC(N)C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,14H2,1H3
InChIKeyXUEIRJMJLFXWET-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.84
Rot. Bonds4

About 3-amino-1-(2,5-dichlorophenyl)pentan-2-one

3-amino-1-(2,5-dichlorophenyl)pentan-2-one (PubChem CID 116584058) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichlorophenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,5-dichlorophenyl)pentan-2-one
PubChem CID116584058
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-amino-1-(2,5-dichlorophenyl)pentan-2-one
SMILESCCC(N)C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,14H2,1H3
InChIKeyXUEIRJMJLFXWET-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-dichlorophenyl)pentan-2-one
CID 116583907
3-(2,5-dichlorophenyl)-1,1-dimethoxypropan-2-one
CID 79492729
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
CID 116606347
1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
3-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116553435
1-(2,5-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114973862
1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
CID 105102601
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258
ethyl 2-amino-4-[(2,5-dichlorophenyl)methylsulfanyl]butanoate
CID 65317915
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The IUPAC name of 3-amino-1-(2,5-dichlorophenyl)pentan-2-one (CID 116584058) is 3-amino-1-(2,5-dichlorophenyl)pentan-2-one.
What is the SMILES notation for 3-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The canonical SMILES for 3-amino-1-(2,5-dichlorophenyl)pentan-2-one is CCC(N)C(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The InChIKey is XUEIRJMJLFXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,14H2,1H3.
What are the key properties of 3-amino-1-(2,5-dichlorophenyl)pentan-2-one?
3-amino-1-(2,5-dichlorophenyl)pentan-2-one has a molecular weight of 246.14 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichlorophenyl)pentan-2-one is sourced from PubChem (CID 116584058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).