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

C11H13Cl2NO — CID 116553318

IUPAC5-amino-1-(2,5-dichlorophenyl)pentan-2-one
SMILESNCCCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-9-3-4-11(13)8(6-9)7-10(15)2-1-5-14/h3-4,6H,1-2,5,7,14H2
InChIKeyKQLLSSDKYZBKHK-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.84
Rot. Bonds5

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

5-amino-1-(2,5-dichlorophenyl)pentan-2-one (PubChem CID 116553318) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 5-amino-1-(2,5-dichlorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2,5-dichlorophenyl)pentan-2-one
PubChem CID116553318
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name5-amino-1-(2,5-dichlorophenyl)pentan-2-one
SMILESNCCCC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-9-3-4-11(13)8(6-9)7-10(15)2-1-5-14/h3-4,6H,1-2,5,7,14H2
InChIKeyKQLLSSDKYZBKHK-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
5-(2,5-dichlorophenyl)-1-hydroxypentan-2-one
CID 11543297
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
CID 116606347
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-(2,5-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114973862
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671
1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
CID 116601293
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The IUPAC name of 5-amino-1-(2,5-dichlorophenyl)pentan-2-one (CID 116553318) is 5-amino-1-(2,5-dichlorophenyl)pentan-2-one.
What is the SMILES notation for 5-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The canonical SMILES for 5-amino-1-(2,5-dichlorophenyl)pentan-2-one is NCCCC(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-amino-1-(2,5-dichlorophenyl)pentan-2-one?
The InChIKey is KQLLSSDKYZBKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-3-4-11(13)8(6-9)7-10(15)2-1-5-14/h3-4,6H,1-2,5,7,14H2.
What are the key properties of 5-amino-1-(2,5-dichlorophenyl)pentan-2-one?
5-amino-1-(2,5-dichlorophenyl)pentan-2-one has a molecular weight of 246.14 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dichlorophenyl)pentan-2-one is sourced from PubChem (CID 116553318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).