5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one

C16H24ClNO — CID 116582920

IUPAC5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
SMILESCCCC(CCN)CCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-2-5-13(10-11-18)8-9-15(19)12-14-6-3-4-7-16(14)17/h3-4,6-7,13H,2,5,8-12,18H2,1H3
InChIKeyFVQLSUXUHKVSTA-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.00
Rot. Bonds9

About 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one

5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one (PubChem CID 116582920) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
PubChem CID116582920
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
SMILESCCCC(CCN)CCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-2-5-13(10-11-18)8-9-15(19)12-14-6-3-4-7-16(14)17/h3-4,6-7,13H,2,5,8-12,18H2,1H3
InChIKeyFVQLSUXUHKVSTA-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethyl)-1-(2-chloro-3-fluorophenyl)octan-2-one
CID 116582948
5-(2-aminoethyl)-1-(3-methylphenyl)octan-2-one
CID 116582892
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
5-(2-aminoethyl)-1-(3,4-dimethylphenyl)octan-2-one
CID 116582921
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
CID 116578233
7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
CID 116578115
1-(2-chlorophenyl)decan-2-one
CID 63409482
5-(2-aminoethyl)-1-(2-bromo-4-fluorophenyl)octan-2-one
CID 116582799
4-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561314
4-(2-aminoethyl)-1-(4-methylphenyl)heptan-1-one
CID 116582789
4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one (CID 116582920) is 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one is CCCC(CCN)CCC(=O)Cc1ccccc1Cl.
What is the InChIKey of 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one?
The InChIKey is FVQLSUXUHKVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-5-13(10-11-18)8-9-15(19)12-14-6-3-4-7-16(14)17/h3-4,6-7,13H,2,5,8-12,18H2,1H3.
What are the key properties of 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one?
5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one has a molecular weight of 281.83 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one is sourced from PubChem (CID 116582920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).