2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid

C16H24FNO2 — CID 106490906

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
SMILESCCCCCCCC(CN)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-16(12-18,15(19)20)13-7-9-14(17)10-8-13/h7-10H,2-6,11-12,18H2,1H3,(H,19,20)
InChIKeyWLEOFEXZAJAXQY-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.47
Rot. Bonds9

About 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid

2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid (PubChem CID 106490906) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
PubChem CID106490906
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
SMILESCCCCCCCC(CN)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-16(12-18,15(19)20)13-7-9-14(17)10-8-13/h7-10H,2-6,11-12,18H2,1H3,(H,19,20)
InChIKeyWLEOFEXZAJAXQY-UHFFFAOYSA-N
XLogP3.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
2-(aminomethyl)-2-(4-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 106490929
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
2-(aminomethyl)-2-(3,5-difluorophenyl)-5-fluoropentanoic acid
CID 106490359
methyl 2-(aminomethyl)-4-butoxy-2-(4-fluorophenyl)butanoate
CID 106490844
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-2-octyldecanoic acid
CID 54024199
2-(2-oxoethyl)-2-phenyltetradecanoic acid
CID 175108825
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid (CID 106490906) is 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid is CCCCCCCC(CN)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid?
The InChIKey is WLEOFEXZAJAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-16(12-18,15(19)20)13-7-9-14(17)10-8-13/h7-10H,2-6,11-12,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid?
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid has a molecular weight of 281.37 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid is sourced from PubChem (CID 106490906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).