2-amino-4-(4-fluorophenyl)benzonitrile;ethane

C15H15FN2 — CID 143899726

IUPAC2-amino-4-(4-fluorophenyl)benzonitrile;ethane
SMILESCC.N#Cc1ccc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C13H9FN2.C2H6/c14-12-5-3-9(4-6-12)10-1-2-11(8-15)13(16)7-10;1-2/h1-7H,16H2;1-2H3
InChIKeyUGJQDSKALUTXHC-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.97
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)benzonitrile;ethane

2-amino-4-(4-fluorophenyl)benzonitrile;ethane (PubChem CID 143899726) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)benzonitrile;ethane.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)benzonitrile;ethane
PubChem CID143899726
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-amino-4-(4-fluorophenyl)benzonitrile;ethane
SMILESCC.N#Cc1ccc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C13H9FN2.C2H6/c14-12-5-3-9(4-6-12)10-1-2-11(8-15)13(16)7-10;1-2/h1-7H,16H2;1-2H3
InChIKeyUGJQDSKALUTXHC-UHFFFAOYSA-N
XLogP3.97
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-fluorophenyl)benzonitrile
CID 46314173
2-amino-5-fluorobenzonitrile
CID 2737704
2-(difluoromethoxy)-4-(4-fluorophenyl)benzonitrile
CID 175686576
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
4-(4-aminophenyl)-2-methylbenzonitrile
CID 142273516
4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
CID 168965609
4-amino-2-fluoro-3-methylbenzonitrile;ethane
CID 144708474
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)benzonitrile;ethane?
The IUPAC name of 2-amino-4-(4-fluorophenyl)benzonitrile;ethane (CID 143899726) is 2-amino-4-(4-fluorophenyl)benzonitrile;ethane.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)benzonitrile;ethane?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)benzonitrile;ethane is CC.N#Cc1ccc(-c2ccc(F)cc2)cc1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)benzonitrile;ethane?
The InChIKey is UGJQDSKALUTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2.C2H6/c14-12-5-3-9(4-6-12)10-1-2-11(8-15)13(16)7-10;1-2/h1-7H,16H2;1-2H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)benzonitrile;ethane?
2-amino-4-(4-fluorophenyl)benzonitrile;ethane has a molecular weight of 242.30 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)benzonitrile;ethane is sourced from PubChem (CID 143899726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).