2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile

C16H22N2O — CID 82089590

IUPAC2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile
SMILESCc1ccccc1CCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C16H22N2O/c1-14-5-3-4-6-15(14)7-8-16(2,13-17)18-9-11-19-12-10-18/h3-6H,7-12H2,1-2H3
InChIKeyGBQQKNDFJJTYSU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile

2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile (PubChem CID 82089590) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile
PubChem CID82089590
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile
SMILESCc1ccccc1CCC(C)(C#N)N1CCOCC1
InChIInChI=1S/C16H22N2O/c1-14-5-3-4-6-15(14)7-8-16(2,13-17)18-9-11-19-12-10-18/h3-6H,7-12H2,1-2H3
InChIKeyGBQQKNDFJJTYSU-UHFFFAOYSA-N
XLogP2.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile (CID 82089590) is 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile is Cc1ccccc1CCC(C)(C#N)N1CCOCC1.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile?
The InChIKey is GBQQKNDFJJTYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14-5-3-4-6-15(14)7-8-16(2,13-17)18-9-11-19-12-10-18/h3-6H,7-12H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile?
2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile has a molecular weight of 258.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-2-morpholin-4-ylbutanenitrile is sourced from PubChem (CID 82089590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).