3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile

C17H17FN2 — CID 64535575

IUPAC3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
SMILESN#CC(CNCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2/c18-17-8-6-14(7-9-17)10-11-20-13-16(12-19)15-4-2-1-3-5-15/h1-9,16,20H,10-11,13H2
InChIKeyQNWAEHDOJVIUMI-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.27
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile

3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile (PubChem CID 64535575) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
PubChem CID64535575
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
SMILESN#CC(CNCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2/c18-17-8-6-14(7-9-17)10-11-20-13-16(12-19)15-4-2-1-3-5-15/h1-9,16,20H,10-11,13H2
InChIKeyQNWAEHDOJVIUMI-UHFFFAOYSA-N
XLogP3.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.27
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

3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
N-[2-[(2-cyano-2-phenylethyl)amino]ethyl]methanesulfonamide
CID 64537210
2-phenyl-3-[2-(triazol-1-yl)ethylamino]propanenitrile
CID 113412677
2-phenyl-3-(2-prop-2-enylsulfanylethylamino)propanenitrile
CID 106428236
3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
CID 113450152
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669
3-[(5-ethylthiophen-2-yl)methylamino]-2-phenylpropanenitrile
CID 106011074

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile (CID 64535575) is 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile is N#CC(CNCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile?
The InChIKey is QNWAEHDOJVIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-17-8-6-14(7-9-17)10-11-20-13-16(12-19)15-4-2-1-3-5-15/h1-9,16,20H,10-11,13H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile?
3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile has a molecular weight of 268.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64535575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).