2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile

C12H15FN2O2 — CID 112610885

IUPAC2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
SMILESCOCCNCc1cccc(F)c1OCC#N
InChIInChI=1S/C12H15FN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3
InChIKeyPIYNRPVOWYYDLB-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile

2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile (PubChem CID 112610885) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
PubChem CID112610885
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
SMILESCOCCNCc1cccc(F)c1OCC#N
InChIInChI=1S/C12H15FN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3
InChIKeyPIYNRPVOWYYDLB-UHFFFAOYSA-N
XLogP1.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
CID 112610843
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile (CID 112610885) is 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile is COCCNCc1cccc(F)c1OCC#N.
What is the InChIKey of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The InChIKey is PIYNRPVOWYYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3.
What are the key properties of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile has a molecular weight of 238.26 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 112610885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).