2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile

C11H13FN2O — CID 115129963

IUPAC2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
SMILESCOc1ccc(F)cc1N(C)C(C)C#N
InChIInChI=1S/C11H13FN2O/c1-8(7-13)14(2)10-6-9(12)4-5-11(10)15-3/h4-6,8H,1-3H3
InChIKeyXFMUVLWXYNQDGP-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.18
Rot. Bonds3

About 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile

2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile (PubChem CID 115129963) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
PubChem CID115129963
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
SMILESCOc1ccc(F)cc1N(C)C(C)C#N
InChIInChI=1S/C11H13FN2O/c1-8(7-13)14(2)10-6-9(12)4-5-11(10)15-3/h4-6,8H,1-3H3
InChIKeyXFMUVLWXYNQDGP-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-methoxy-N-methylanilino)propanenitrile
CID 115129971
2-(2,4-difluoro-N-methylanilino)propanenitrile
CID 115130007
2-(2,5-dimethoxy-N-methyl-4-methylsulfanylanilino)propanenitrile
CID 115130098
2-[(5-fluoro-2-methoxy-N-methylanilino)methyl]butanenitrile
CID 115253621
2-(5-chloro-2-methoxy-N,4-dimethylanilino)propanenitrile
CID 115130001
3-(5-fluoro-2-methoxy-N-methylanilino)-2,2-dimethylpropanenitrile
CID 115233888
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
CID 115130049
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131065
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N,N-bis[bis(5-fluoro-2-methoxyphenyl)phosphanyl]methanamine
CID 101168361
2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile?
The IUPAC name of 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile (CID 115129963) is 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile?
The canonical SMILES for 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile is COc1ccc(F)cc1N(C)C(C)C#N.
What is the InChIKey of 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile?
The InChIKey is XFMUVLWXYNQDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8(7-13)14(2)10-6-9(12)4-5-11(10)15-3/h4-6,8H,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile?
2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile has a molecular weight of 208.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile is sourced from PubChem (CID 115129963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).