2-fluoro-5-(2-methylpropylamino)benzonitrile

C11H13FN2 — CID 62316780

IUPAC2-fluoro-5-(2-methylpropylamino)benzonitrile
SMILESCC(C)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H13FN2/c1-8(2)7-14-10-3-4-11(12)9(5-10)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyISQFRJYXSCBXCE-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.77
Rot. Bonds3

About 2-fluoro-5-(2-methylpropylamino)benzonitrile

2-fluoro-5-(2-methylpropylamino)benzonitrile (PubChem CID 62316780) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylpropylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-methylpropylamino)benzonitrile
PubChem CID62316780
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-fluoro-5-(2-methylpropylamino)benzonitrile
SMILESCC(C)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H13FN2/c1-8(2)7-14-10-3-4-11(12)9(5-10)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyISQFRJYXSCBXCE-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyano-4-fluoroanilino)-2-methylpropanoic acid
CID 62316458
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
2-amino-5-(2-methylpropylamino)benzonitrile
CID 115498956
2-fluoro-5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzonitrile
CID 55058015
2-fluoro-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzonitrile
CID 63899643
ethyl 3-(3-cyano-4-fluoroanilino)-2-methylpropanoate
CID 62316630
methyl 2-bromo-3-(3-cyano-4-fluoroanilino)propanoate
CID 103247896
5-(4-cyanobutylamino)-2-fluorobenzonitrile
CID 62316279
ethyl 4-(3-cyano-4-fluoroanilino)-3-hydroxybutanoate
CID 103247889
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
2-fluoro-5-(pentan-2-ylamino)benzonitrile
CID 62317133

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylpropylamino)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-methylpropylamino)benzonitrile (CID 62316780) is 2-fluoro-5-(2-methylpropylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-methylpropylamino)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-methylpropylamino)benzonitrile is CC(C)CNc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(2-methylpropylamino)benzonitrile?
The InChIKey is ISQFRJYXSCBXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8(2)7-14-10-3-4-11(12)9(5-10)6-13/h3-5,8,14H,7H2,1-2H3.
What are the key properties of 2-fluoro-5-(2-methylpropylamino)benzonitrile?
2-fluoro-5-(2-methylpropylamino)benzonitrile has a molecular weight of 192.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylpropylamino)benzonitrile is sourced from PubChem (CID 62316780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).