5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one

C13H18ClNO2 — CID 116610213

IUPAC5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCCC(C)N
InChIInChI=1S/C13H18ClNO2/c1-9(15)4-3-5-12(16)11-8-10(14)6-7-13(11)17-2/h6-9H,3-5,15H2,1-2H3
InChIKeyRXKCFTXVHAPXET-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.05
Rot. Bonds6

About 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one

5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one (PubChem CID 116610213) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
PubChem CID116610213
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
SMILESCOc1ccc(Cl)cc1C(=O)CCCC(C)N
InChIInChI=1S/C13H18ClNO2/c1-9(15)4-3-5-12(16)11-8-10(14)6-7-13(11)17-2/h6-9H,3-5,15H2,1-2H3
InChIKeyRXKCFTXVHAPXET-UHFFFAOYSA-N
XLogP3.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
3-(4-aminophenyl)-1-(5-chloro-2-methoxyphenyl)propan-1-one
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4-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)butan-1-one
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3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
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1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one?
The IUPAC name of 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one (CID 116610213) is 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one?
The canonical SMILES for 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one is COc1ccc(Cl)cc1C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one?
The InChIKey is RXKCFTXVHAPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(15)4-3-5-12(16)11-8-10(14)6-7-13(11)17-2/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one?
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one has a molecular weight of 255.75 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one is sourced from PubChem (CID 116610213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).