5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile

C15H21FN2 — CID 65257896

IUPAC5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile
SMILESCCN(CCCC(C)(C)C#N)c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-4-18(11-7-10-15(2,3)12-17)14-9-6-5-8-13(14)16/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyHLWJHHYURQBNCU-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.98
Rot. Bonds6

About 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile

5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile (PubChem CID 65257896) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile
PubChem CID65257896
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile
SMILESCCN(CCCC(C)(C)C#N)c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-4-18(11-7-10-15(2,3)12-17)14-9-6-5-8-13(14)16/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyHLWJHHYURQBNCU-UHFFFAOYSA-N
XLogP3.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
CID 63030292
5-[3-aminopropyl(benzyl)amino]-2,2-dimethylpentanenitrile
CID 107367959
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
2-[(N-ethyl-2-fluoroanilino)methyl]-2-methylbutanal
CID 62277954
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile (CID 65257896) is 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile is CCN(CCCC(C)(C)C#N)c1ccccc1F.
What is the InChIKey of 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile?
The InChIKey is HLWJHHYURQBNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-18(11-7-10-15(2,3)12-17)14-9-6-5-8-13(14)16/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile?
5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile has a molecular weight of 248.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).