6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid

C14H20FNO2 — CID 65290029

IUPAC6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
SMILESCC(CCNCc1ccccc1F)CCC(=O)O
InChIInChI=1S/C14H20FNO2/c1-11(6-7-14(17)18)8-9-16-10-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3,(H,17,18)
InChIKeyPIAVZKRZPDWMDB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.81
Rot. Bonds8

About 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid

6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid (PubChem CID 65290029) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
PubChem CID65290029
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
SMILESCC(CCNCc1ccccc1F)CCC(=O)O
InChIInChI=1S/C14H20FNO2/c1-11(6-7-14(17)18)8-9-16-10-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3,(H,17,18)
InChIKeyPIAVZKRZPDWMDB-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.81
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

6-[(2,3-difluorophenyl)methylamino]-4-methylhexanoic acid
CID 65289896
6-[(2-chloro-3-fluorophenyl)methylamino]-4-methylhexanoic acid
CID 112652751
4-[(2-fluorophenyl)methylamino]-2-methylbutanoic acid
CID 115220769
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
6-[(2,6-dichlorophenyl)methylamino]-4-methylhexanoic acid
CID 65289912
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N-[(2-fluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604329
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
6-[(5-ethylthiophen-2-yl)methylamino]-4-methylhexanoic acid
CID 65287603
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid (CID 65290029) is 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid is CC(CCNCc1ccccc1F)CCC(=O)O.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid?
The InChIKey is PIAVZKRZPDWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(6-7-14(17)18)8-9-16-10-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid?
6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid is sourced from PubChem (CID 65290029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).