2-[(2-fluorophenyl)methylamino]acetonitrile

C9H9FN2 — CID 28582566

IUPAC2-[(2-fluorophenyl)methylamino]acetonitrile
SMILESN#CCNCc1ccccc1F
InChIInChI=1S/C9H9FN2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,12H,6-7H2
InChIKeyFQSFVUFMCLXIHR-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.44
Rot. Bonds3

About 2-[(2-fluorophenyl)methylamino]acetonitrile

2-[(2-fluorophenyl)methylamino]acetonitrile (PubChem CID 28582566) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]acetonitrile
PubChem CID28582566
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-[(2-fluorophenyl)methylamino]acetonitrile
SMILESN#CCNCc1ccccc1F
InChIInChI=1S/C9H9FN2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,12H,6-7H2
InChIKeyFQSFVUFMCLXIHR-UHFFFAOYSA-N
XLogP1.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyanomethylamino)methyl]benzonitrile
CID 46942219
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-[4-[[(2-fluorophenyl)methylamino]methyl]phenoxy]acetonitrile
CID 43221050
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
3-[[(2-fluorophenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115248027

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]acetonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]acetonitrile (CID 28582566) is 2-[(2-fluorophenyl)methylamino]acetonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]acetonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]acetonitrile is N#CCNCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]acetonitrile?
The InChIKey is FQSFVUFMCLXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4,12H,6-7H2.
What are the key properties of 2-[(2-fluorophenyl)methylamino]acetonitrile?
2-[(2-fluorophenyl)methylamino]acetonitrile has a molecular weight of 164.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]acetonitrile is sourced from PubChem (CID 28582566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).