3-[(2-fluorophenyl)methyl-methylamino]benzonitrile

C15H13FN2 — CID 47078108

IUPAC3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccccc1F)c1cccc(C#N)c1
InChIInChI=1S/C15H13FN2/c1-18(11-13-6-2-3-8-15(13)16)14-7-4-5-12(9-14)10-17/h2-9H,11H2,1H3
InChIKeyCFASALSHCJNFAI-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.33
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile

3-[(2-fluorophenyl)methyl-methylamino]benzonitrile (PubChem CID 47078108) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
PubChem CID47078108
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1ccccc1F)c1cccc(C#N)c1
InChIInChI=1S/C15H13FN2/c1-18(11-13-6-2-3-8-15(13)16)14-7-4-5-12(9-14)10-17/h2-9H,11H2,1H3
InChIKeyCFASALSHCJNFAI-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile (CID 47078108) is 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile is CN(Cc1ccccc1F)c1cccc(C#N)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is CFASALSHCJNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-18(11-13-6-2-3-8-15(13)16)14-7-4-5-12(9-14)10-17/h2-9H,11H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile?
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 47078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).