5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile

C13H17FN2 — CID 81380757

IUPAC5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile
SMILESC[C@@H](NCCCCC#N)c1ccccc1F
InChIInChI=1S/C13H17FN2/c1-11(16-10-6-2-5-9-15)12-7-3-4-8-13(12)14/h3-4,7-8,11,16H,2,5-6,10H2,1H3/t11-/m1/s1
InChIKeyGCPZYJAGXBOLGV-LLVKDONJSA-N
MW220.29 g/mol
LogP3.17
Rot. Bonds6

About 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile

5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile (PubChem CID 81380757) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile.

Molecular Properties

Compound Name5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile
PubChem CID81380757
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile
SMILESC[C@@H](NCCCCC#N)c1ccccc1F
InChIInChI=1S/C13H17FN2/c1-11(16-10-6-2-5-9-15)12-7-3-4-8-13(12)14/h3-4,7-8,11,16H,2,5-6,10H2,1H3/t11-/m1/s1
InChIKeyGCPZYJAGXBOLGV-LLVKDONJSA-N
XLogP3.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.17
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-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]butanenitrile
CID 81387219
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
3-[1-(2-methoxyphenyl)ethylamino]propanenitrile
CID 43183181
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile?
The IUPAC name of 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile (CID 81380757) is 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile.
What is the SMILES notation for 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile?
The canonical SMILES for 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile is C[C@@H](NCCCCC#N)c1ccccc1F.
What is the InChIKey of 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile?
The InChIKey is GCPZYJAGXBOLGV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17FN2/c1-11(16-10-6-2-5-9-15)12-7-3-4-8-13(12)14/h3-4,7-8,11,16H,2,5-6,10H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile?
5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile has a molecular weight of 220.29 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile is sourced from PubChem (CID 81380757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).