2-[(2-fluorophenyl)methylamino]hexanoic acid

C13H18FNO2 — CID 82364371

IUPAC2-[(2-fluorophenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-2-3-8-12(13(16)17)15-9-10-6-4-5-7-11(10)14/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYZJVYQLLFBESBI-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.56
Rot. Bonds7

About 2-[(2-fluorophenyl)methylamino]hexanoic acid

2-[(2-fluorophenyl)methylamino]hexanoic acid (PubChem CID 82364371) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]hexanoic acid
PubChem CID82364371
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[(2-fluorophenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-2-3-8-12(13(16)17)15-9-10-6-4-5-7-11(10)14/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYZJVYQLLFBESBI-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-fluorophenyl)methylamino]hexanoate
CID 113268584
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]hexanoic acid
CID 82364615
2-(benzylamino)nonanoic acid
CID 54889620
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
6-amino-2-[(2-hydroxyphenyl)methylamino]hexanoic acid
CID 85204947
2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
CID 61194249
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]hexanoic acid
CID 120511592
2-[(2-fluorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
CID 163331541
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)hexanoic acid
CID 120510206
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]hexanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]hexanoic acid (CID 82364371) is 2-[(2-fluorophenyl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]hexanoic acid is CCCCC(NCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]hexanoic acid?
The InChIKey is YZJVYQLLFBESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-3-8-12(13(16)17)15-9-10-6-4-5-7-11(10)14/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-fluorophenyl)methylamino]hexanoic acid?
2-[(2-fluorophenyl)methylamino]hexanoic acid has a molecular weight of 239.29 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]hexanoic acid is sourced from PubChem (CID 82364371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).