2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile

C11H13FN2O — CID 115128962

IUPAC2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1NC(C)(C)C#N
InChIInChI=1S/C11H13FN2O/c1-11(2,7-13)14-9-6-8(12)4-5-10(9)15-3/h4-6,14H,1-3H3
InChIKeyBGJOONPJHPIWOS-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.55
Rot. Bonds3

About 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile

2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile (PubChem CID 115128962) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
PubChem CID115128962
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1NC(C)(C)C#N
InChIInChI=1S/C11H13FN2O/c1-11(2,7-13)14-9-6-8(12)4-5-10(9)15-3/h4-6,14H,1-3H3
InChIKeyBGJOONPJHPIWOS-UHFFFAOYSA-N
XLogP2.55
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyanilino)-2-methylpropanenitrile
CID 115128977
2-(2,4-dimethoxyanilino)-2-methylpropanenitrile
CID 82127644
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
3-(4-fluorophenyl)-2-(2-methoxyanilino)-2-methylpropanenitrile
CID 114831840
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
5-[(2,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336388
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
2-(2,4-difluorophenoxy)-2-methylpropanenitrile
CID 57467467
2-methyl-2-(3,4,5-trimethoxyanilino)propanenitrile
CID 94690084
(4-fluoro-2-methoxyphenyl)cyanamide
CID 62482272
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile (CID 115128962) is 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile is COc1ccc(F)cc1NC(C)(C)C#N.
What is the InChIKey of 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile?
The InChIKey is BGJOONPJHPIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(2,7-13)14-9-6-8(12)4-5-10(9)15-3/h4-6,14H,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile?
2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile has a molecular weight of 208.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile is sourced from PubChem (CID 115128962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).