5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile

C16H23FN2 — CID 65257421

IUPAC5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
SMILESCC(c1ccccc1F)N(C)CCCC(C)(C)C#N
InChIInChI=1S/C16H23FN2/c1-13(14-8-5-6-9-15(14)17)19(4)11-7-10-16(2,3)12-18/h5-6,8-9,13H,7,10-11H2,1-4H3
InChIKeyJCBIBYCRVGSVHF-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.15
Rot. Bonds6

About 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile

5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile (PubChem CID 65257421) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
PubChem CID65257421
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
SMILESCC(c1ccccc1F)N(C)CCCC(C)(C)C#N
InChIInChI=1S/C16H23FN2/c1-13(14-8-5-6-9-15(14)17)19(4)11-7-10-16(2,3)12-18/h5-6,8-9,13H,7,10-11H2,1-4H3
InChIKeyJCBIBYCRVGSVHF-UHFFFAOYSA-N
XLogP4.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
5-(N-ethyl-2-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65257896
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile (CID 65257421) is 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile is CC(c1ccccc1F)N(C)CCCC(C)(C)C#N.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile?
The InChIKey is JCBIBYCRVGSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-13(14-8-5-6-9-15(14)17)19(4)11-7-10-16(2,3)12-18/h5-6,8-9,13H,7,10-11H2,1-4H3.
What are the key properties of 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile?
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile has a molecular weight of 262.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).