4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile

C14H19FN2 — CID 65248609

IUPAC4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCCc1ccccc1F
InChIInChI=1S/C14H19FN2/c1-14(2,11-16)8-10-17-9-7-12-5-3-4-6-13(12)15/h3-6,17H,7-10H2,1-2H3
InChIKeyOGXXPOPSOPIMGF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.90
Rot. Bonds6

About 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile

4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile (PubChem CID 65248609) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
PubChem CID65248609
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCNCCc1ccccc1F
InChIInChI=1S/C14H19FN2/c1-14(2,11-16)8-10-17-9-7-12-5-3-4-6-13(12)15/h3-6,17H,7-10H2,1-2H3
InChIKeyOGXXPOPSOPIMGF-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
3,5-difluoro-4-[[2-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 107037514
1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile (CID 65248609) is 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCNCCc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile?
The InChIKey is OGXXPOPSOPIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-14(2,11-16)8-10-17-9-7-12-5-3-4-6-13(12)15/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile?
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile has a molecular weight of 234.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65248609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).