2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

C14H19FN2O — CID 115129680

IUPAC2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1CCN(C)C(C)(C)C#N
InChIInChI=1S/C14H19FN2O/c1-14(2,10-16)17(3)8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyXAPMLWNBMGEHAO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129680) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129680
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1CCN(C)C(C)(C)C#N
InChIInChI=1S/C14H19FN2O/c1-14(2,10-16)17(3)8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyXAPMLWNBMGEHAO-UHFFFAOYSA-N
XLogP2.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258985
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695
1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131065
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
3-(5-fluoro-2-methoxy-N-methylanilino)-2,2-dimethylpropanenitrile
CID 115233888
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129680) is 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is COc1ccc(F)cc1CCN(C)C(C)(C)C#N.
What is the InChIKey of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is XAPMLWNBMGEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,10-16)17(3)8-7-11-9-12(15)5-6-13(11)18-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 250.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).