2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid

C16H24FNO2 — CID 106988006

IUPAC2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid
SMILESCCCCCCC(C)C(C(=O)O)c1cccc(F)c1N
InChIInChI=1S/C16H24FNO2/c1-3-4-5-6-8-11(2)14(16(19)20)12-9-7-10-13(17)15(12)18/h7,9-11,14H,3-6,8,18H2,1-2H3,(H,19,20)
InChIKeyVBSLZNPKELJWMQ-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.18
Rot. Bonds8

About 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid

2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid (PubChem CID 106988006) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid.

Molecular Properties

Compound Name2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid
PubChem CID106988006
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid
SMILESCCCCCCC(C)C(C(=O)O)c1cccc(F)c1N
InChIInChI=1S/C16H24FNO2/c1-3-4-5-6-8-11(2)14(16(19)20)12-9-7-10-13(17)15(12)18/h7,9-11,14H,3-6,8,18H2,1-2H3,(H,19,20)
InChIKeyVBSLZNPKELJWMQ-UHFFFAOYSA-N
XLogP4.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.18
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-fluorophenyl)decanoic acid
CID 106820197
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
2-(2-iodophenyl)-3-methylnonanoic acid
CID 91011981
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-amino-3-bromophenyl)decanoic acid
CID 106987429
2-(2-aminophenyl)octanamide
CID 141183798
ethyl 2-(2-amino-3-methylphenyl)octanoate
CID 106987977
3-methyl-2-(2-methylphenyl)hexanoic acid
CID 56997006
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
2-(2-amino-3-nitrophenyl)octanoic acid
CID 106987303

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid?
The IUPAC name of 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid (CID 106988006) is 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid.
What is the SMILES notation for 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid?
The canonical SMILES for 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid is CCCCCCC(C)C(C(=O)O)c1cccc(F)c1N.
What is the InChIKey of 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid?
The InChIKey is VBSLZNPKELJWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-4-5-6-8-11(2)14(16(19)20)12-9-7-10-13(17)15(12)18/h7,9-11,14H,3-6,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid?
2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid has a molecular weight of 281.37 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluorophenyl)-3-methylnonanoic acid is sourced from PubChem (CID 106988006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).