2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid

C14H20FNO3 — CID 118561459

IUPAC2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
SMILESCC(CCC(CN)C(=O)O)COc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-10(6-7-11(8-16)14(17)18)9-19-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyBPIBHBMYBBYRLA-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.28
Rot. Bonds8

About 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid

2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid (PubChem CID 118561459) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
PubChem CID118561459
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid
SMILESCC(CCC(CN)C(=O)O)COc1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-10(6-7-11(8-16)14(17)18)9-19-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyBPIBHBMYBBYRLA-UHFFFAOYSA-N
XLogP2.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-methyl-6-phenylmethoxyhexanoic acid
CID 139389936
2-fluoro-3-(2-fluorophenoxy)propan-1-amine
CID 105442441
methyl 2-[(2-fluorophenoxy)methyl]-3-methylbutanoate
CID 117242489
2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol
CID 142043711
3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245170
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
CID 167878771
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-(aminomethyl)-7-(2,6-diethoxyphenyl)-4-methylheptanoic acid
CID 69268091

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid?
The IUPAC name of 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid (CID 118561459) is 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid?
The canonical SMILES for 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid is CC(CCC(CN)C(=O)O)COc1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid?
The InChIKey is BPIBHBMYBBYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(6-7-11(8-16)14(17)18)9-19-13-5-3-2-4-12(13)15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid?
2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid has a molecular weight of 269.32 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(2-fluorophenoxy)-5-methylhexanoic acid is sourced from PubChem (CID 118561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).