7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one

C16H24BrNO2 — CID 116578332

IUPAC7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H24BrNO2/c1-3-12(8-9-18)4-6-15(19)11-13-10-14(17)5-7-16(13)20-2/h5,7,10,12H,3-4,6,8-9,11,18H2,1-2H3
InChIKeySYVSTSJWGXOFQM-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.72
Rot. Bonds9

About 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one

7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one (PubChem CID 116578332) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one
PubChem CID116578332
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H24BrNO2/c1-3-12(8-9-18)4-6-15(19)11-13-10-14(17)5-7-16(13)20-2/h5,7,10,12H,3-4,6,8-9,11,18H2,1-2H3
InChIKeySYVSTSJWGXOFQM-UHFFFAOYSA-N
XLogP3.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 115345736
3-amino-1-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116584145
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
4-(4-aminophenyl)-1-(5-bromo-2-methoxyphenyl)butan-2-one
CID 116605589
1-(5-bromo-2-methoxyphenyl)-4,4,4-trifluorobutan-2-one
CID 54971223
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146880
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one?
The IUPAC name of 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one (CID 116578332) is 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one?
The canonical SMILES for 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one is CCC(CCN)CCC(=O)Cc1cc(Br)ccc1OC.
What is the InChIKey of 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one?
The InChIKey is SYVSTSJWGXOFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-12(8-9-18)4-6-15(19)11-13-10-14(17)5-7-16(13)20-2/h5,7,10,12H,3-4,6,8-9,11,18H2,1-2H3.
What are the key properties of 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one?
7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one has a molecular weight of 342.28 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(5-bromo-2-methoxyphenyl)-5-ethylheptan-2-one is sourced from PubChem (CID 116578332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).