3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile

C12H15FN2 — CID 115591783

IUPAC3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
SMILESCC(Cc1ccccc1F)NCCC#N
InChIInChI=1S/C12H15FN2/c1-10(15-8-4-7-14)9-11-5-2-3-6-12(11)13/h2-3,5-6,10,15H,4,8-9H2,1H3
InChIKeyFOQGSYWGVZHLCK-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.26
Rot. Bonds5

About 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile

3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile (PubChem CID 115591783) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
PubChem CID115591783
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
SMILESCC(Cc1ccccc1F)NCCC#N
InChIInChI=1S/C12H15FN2/c1-10(15-8-4-7-14)9-11-5-2-3-6-12(11)13/h2-3,5-6,10,15H,4,8-9H2,1H3
InChIKeyFOQGSYWGVZHLCK-UHFFFAOYSA-N
XLogP2.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.26
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

N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile (CID 115591783) is 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile is CC(Cc1ccccc1F)NCCC#N.
What is the InChIKey of 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile?
The InChIKey is FOQGSYWGVZHLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-10(15-8-4-7-14)9-11-5-2-3-6-12(11)13/h2-3,5-6,10,15H,4,8-9H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile?
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile has a molecular weight of 206.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile is sourced from PubChem (CID 115591783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).