2-amino-1-(3,4-dichlorophenyl)hexan-1-one

C12H15Cl2NO — CID 116556832

IUPAC2-amino-1-(3,4-dichlorophenyl)hexan-1-one
SMILESCCCCC(N)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-11(15)12(16)8-5-6-9(13)10(14)7-8/h5-7,11H,2-4,15H2,1H3
InChIKeyPGEVJWZVDXJEGO-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.69
Rot. Bonds5

About 2-amino-1-(3,4-dichlorophenyl)hexan-1-one

2-amino-1-(3,4-dichlorophenyl)hexan-1-one (PubChem CID 116556832) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-amino-1-(3,4-dichlorophenyl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dichlorophenyl)hexan-1-one
PubChem CID116556832
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-amino-1-(3,4-dichlorophenyl)hexan-1-one
SMILESCCCCC(N)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-4-11(15)12(16)8-5-6-9(13)10(14)7-8/h5-7,11H,2-4,15H2,1H3
InChIKeyPGEVJWZVDXJEGO-UHFFFAOYSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
methyl 3-amino-4-(3,4-dichlorophenyl)-4-oxobutanoate
CID 82349249
2-(butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 82100709
2-[4-(2-aminohexanoyl)phenyl]acetic acid
CID 70523747
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
2-amino-1-(3-chloro-4-methylphenyl)butan-1-one
CID 107561317
2-amino-1-(3-chlorothiophen-2-yl)hexan-1-one
CID 107361581
2-(3,4-dichlorobenzoyl)pentanenitrile
CID 79405268
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 116611550
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dichlorophenyl)hexan-1-one?
The IUPAC name of 2-amino-1-(3,4-dichlorophenyl)hexan-1-one (CID 116556832) is 2-amino-1-(3,4-dichlorophenyl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dichlorophenyl)hexan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dichlorophenyl)hexan-1-one is CCCCC(N)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3,4-dichlorophenyl)hexan-1-one?
The InChIKey is PGEVJWZVDXJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-3-4-11(15)12(16)8-5-6-9(13)10(14)7-8/h5-7,11H,2-4,15H2,1H3.
What are the key properties of 2-amino-1-(3,4-dichlorophenyl)hexan-1-one?
2-amino-1-(3,4-dichlorophenyl)hexan-1-one has a molecular weight of 260.16 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dichlorophenyl)hexan-1-one is sourced from PubChem (CID 116556832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).