2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile

C18H20N2 — CID 60990377

IUPAC2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
SMILESCc1ccccc1NC(C)(C#N)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-15-8-6-7-11-17(15)20-18(2,14-19)13-12-16-9-4-3-5-10-16/h3-11,20H,12-13H2,1-2H3
InChIKeyVQKWNKQSWTVJPK-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile

2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile (PubChem CID 60990377) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
PubChem CID60990377
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
SMILESCc1ccccc1NC(C)(C#N)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-15-8-6-7-11-17(15)20-18(2,14-19)13-12-16-9-4-3-5-10-16/h3-11,20H,12-13H2,1-2H3
InChIKeyVQKWNKQSWTVJPK-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile?
The IUPAC name of 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile (CID 60990377) is 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile.
What is the SMILES notation for 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile?
The canonical SMILES for 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile is Cc1ccccc1NC(C)(C#N)CCc1ccccc1.
What is the InChIKey of 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile?
The InChIKey is VQKWNKQSWTVJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-15-8-6-7-11-17(15)20-18(2,14-19)13-12-16-9-4-3-5-10-16/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile?
2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile has a molecular weight of 264.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile is sourced from PubChem (CID 60990377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).