1-(3-amino-5-bromophenyl)decan-1-one

C16H24BrNO — CID 116597038

IUPAC1-(3-amino-5-bromophenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-2-3-4-5-6-7-8-9-16(19)13-10-14(17)12-15(18)11-13/h10-12H,2-9,18H2,1H3
InChIKeyJIKUNCXQNQEPHU-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.35
Rot. Bonds9

About 1-(3-amino-5-bromophenyl)decan-1-one

1-(3-amino-5-bromophenyl)decan-1-one (PubChem CID 116597038) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(3-amino-5-bromophenyl)decan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-bromophenyl)decan-1-one
PubChem CID116597038
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(3-amino-5-bromophenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-2-3-4-5-6-7-8-9-16(19)13-10-14(17)12-15(18)11-13/h10-12H,2-9,18H2,1H3
InChIKeyJIKUNCXQNQEPHU-UHFFFAOYSA-N
XLogP5.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-(4-amino-3,5-dimethylphenyl)octan-1-one
CID 59815155
1-(4-bromo-3,5-dimethylphenyl)decan-1-one
CID 114329661
1-(3-amino-5-bromophenyl)-3-ethylheptan-1-one
CID 116597033
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(4-amino-3-bromophenyl)decan-1-one
CID 65426067
1-(3,5-dibromo-4-hydroxyphenyl)hexan-1-one
CID 21284639
1-(3-amino-5-bromophenyl)-2-propoxyethanone
CID 116597183
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromophenyl)decan-1-one?
The IUPAC name of 1-(3-amino-5-bromophenyl)decan-1-one (CID 116597038) is 1-(3-amino-5-bromophenyl)decan-1-one.
What is the SMILES notation for 1-(3-amino-5-bromophenyl)decan-1-one?
The canonical SMILES for 1-(3-amino-5-bromophenyl)decan-1-one is CCCCCCCCCC(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of 1-(3-amino-5-bromophenyl)decan-1-one?
The InChIKey is JIKUNCXQNQEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-3-4-5-6-7-8-9-16(19)13-10-14(17)12-15(18)11-13/h10-12H,2-9,18H2,1H3.
What are the key properties of 1-(3-amino-5-bromophenyl)decan-1-one?
1-(3-amino-5-bromophenyl)decan-1-one has a molecular weight of 326.28 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromophenyl)decan-1-one is sourced from PubChem (CID 116597038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).