4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile

C14H11FN2O — CID 114417635

IUPAC4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)c(F)cc1N
InChIInChI=1S/C14H11FN2O/c1-9-6-14(12(15)7-13(9)17)18-11-4-2-10(8-16)3-5-11/h2-7H,17H2,1H3
InChIKeyINMYDRDBBMWXQK-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.38
Rot. Bonds2

About 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile

4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile (PubChem CID 114417635) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
PubChem CID114417635
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)c(F)cc1N
InChIInChI=1S/C14H11FN2O/c1-9-6-14(12(15)7-13(9)17)18-11-4-2-10(8-16)3-5-11/h2-7H,17H2,1H3
InChIKeyINMYDRDBBMWXQK-UHFFFAOYSA-N
XLogP3.38
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-fluoro-5-methylphenoxy)-2-chlorobenzonitrile
CID 114417482
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
3-[(4-amino-2-fluoro-5-methylphenoxy)methyl]-4-methoxybenzonitrile
CID 114415764
2-[4-(2-amino-4-fluoro-5-methylphenoxy)phenyl]acetonitrile
CID 103590907
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
4-amino-3-(4-bromo-3-fluorophenoxy)benzonitrile
CID 113444333
4-(4,6-diamino-3-chloro-2-fluorophenoxy)benzonitrile
CID 103553641

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile?
The IUPAC name of 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile (CID 114417635) is 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile?
The canonical SMILES for 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile is Cc1cc(Oc2ccc(C#N)cc2)c(F)cc1N.
What is the InChIKey of 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile?
The InChIKey is INMYDRDBBMWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-9-6-14(12(15)7-13(9)17)18-11-4-2-10(8-16)3-5-11/h2-7H,17H2,1H3.
What are the key properties of 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile?
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile has a molecular weight of 242.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 114417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).