2-(benzylamino)-2-(4-methylphenyl)acetonitrile

C16H16N2 — CID 15852212

IUPAC2-(benzylamino)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)16(11-17)18-12-14-5-3-2-4-6-14/h2-10,16,18H,12H2,1H3
InChIKeyGLNOCPOYOYLZFS-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.35
Rot. Bonds4

About 2-(benzylamino)-2-(4-methylphenyl)acetonitrile

2-(benzylamino)-2-(4-methylphenyl)acetonitrile (PubChem CID 15852212) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-methylphenyl)acetonitrile
PubChem CID15852212
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(benzylamino)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)16(11-17)18-12-14-5-3-2-4-6-14/h2-10,16,18H,12H2,1H3
InChIKeyGLNOCPOYOYLZFS-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of 2-(benzylamino)-2-(4-methylphenyl)acetonitrile (CID 15852212) is 2-(benzylamino)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(benzylamino)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(benzylamino)-2-(4-methylphenyl)acetonitrile is Cc1ccc(C(C#N)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-methylphenyl)acetonitrile?
The InChIKey is GLNOCPOYOYLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)16(11-17)18-12-14-5-3-2-4-6-14/h2-10,16,18H,12H2,1H3.
What are the key properties of 2-(benzylamino)-2-(4-methylphenyl)acetonitrile?
2-(benzylamino)-2-(4-methylphenyl)acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 15852212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).