2-(2-amino-3-bromophenyl)decanoic acid

C16H24BrNO2 — CID 106987429

IUPAC2-(2-amino-3-bromophenyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccc(Br)c1N
InChIInChI=1S/C16H24BrNO2/c1-2-3-4-5-6-7-9-13(16(19)20)12-10-8-11-14(17)15(12)18/h8,10-11,13H,2-7,9,18H2,1H3,(H,19,20)
InChIKeyLVVINTFHHLKJTK-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.95
Rot. Bonds9

About 2-(2-amino-3-bromophenyl)decanoic acid

2-(2-amino-3-bromophenyl)decanoic acid (PubChem CID 106987429) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(2-amino-3-bromophenyl)decanoic acid.

Molecular Properties

Compound Name2-(2-amino-3-bromophenyl)decanoic acid
PubChem CID106987429
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(2-amino-3-bromophenyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccc(Br)c1N
InChIInChI=1S/C16H24BrNO2/c1-2-3-4-5-6-7-9-13(16(19)20)12-10-8-11-14(17)15(12)18/h8,10-11,13H,2-7,9,18H2,1H3,(H,19,20)
InChIKeyLVVINTFHHLKJTK-UHFFFAOYSA-N
XLogP4.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.95
H-Bond Donors ≤ 52
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

2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
2-(2-amino-3-nitrophenyl)octanoic acid
CID 106987303
2-naphthalen-1-yldodecanoic acid
CID 23333439
ethyl 2-(2-amino-3-methylphenyl)octanoate
CID 106987977
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
2-[2-(diaminomethylideneamino)phenyl]henicosanoic acid
CID 69479694
2-(2-pyridin-1-ium-1-ylphenyl)nonadecanoic acid
CID 69480674
2-(2-pyridin-1-ium-1-ylphenyl)tridecanoic acid
CID 69479552
2-(2-aminophenyl)octanamide
CID 141183798

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-bromophenyl)decanoic acid?
The IUPAC name of 2-(2-amino-3-bromophenyl)decanoic acid (CID 106987429) is 2-(2-amino-3-bromophenyl)decanoic acid.
What is the SMILES notation for 2-(2-amino-3-bromophenyl)decanoic acid?
The canonical SMILES for 2-(2-amino-3-bromophenyl)decanoic acid is CCCCCCCCC(C(=O)O)c1cccc(Br)c1N.
What is the InChIKey of 2-(2-amino-3-bromophenyl)decanoic acid?
The InChIKey is LVVINTFHHLKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-3-4-5-6-7-9-13(16(19)20)12-10-8-11-14(17)15(12)18/h8,10-11,13H,2-7,9,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-3-bromophenyl)decanoic acid?
2-(2-amino-3-bromophenyl)decanoic acid has a molecular weight of 342.28 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-bromophenyl)decanoic acid is sourced from PubChem (CID 106987429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).