2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile

C15H13FN2 — CID 54886939

IUPAC2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccccc1F
InChIInChI=1S/C15H13FN2/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h2-9,15,18H,1H3
InChIKeyXEVMLEMSYHBAPV-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile

2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 54886939) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
PubChem CID54886939
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccccc1F
InChIInChI=1S/C15H13FN2/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h2-9,15,18H,1H3
InChIKeyXEVMLEMSYHBAPV-UHFFFAOYSA-N
XLogP3.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-(4-bromo-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887028
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
CID 100954414
2-isoquinolin-4-yl-2-(2-methylanilino)acetonitrile
CID 104504207
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 83091019
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
CID 64975375

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile (CID 54886939) is 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile is Cc1ccccc1NC(C#N)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is XEVMLEMSYHBAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h2-9,15,18H,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 54886939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).