2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile

C15H20N2O — CID 15022

IUPAC2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile
SMILESCC(C#N)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-15(13-16,14-5-3-2-4-6-14)7-8-17-9-11-18-12-10-17/h2-6H,7-12H2,1H3
InChIKeyQOBDYSKUZHDWOI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile

2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile (PubChem CID 15022) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile
PubChem CID15022
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile
SMILESCC(C#N)(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-15(13-16,14-5-3-2-4-6-14)7-8-17-9-11-18-12-10-17/h2-6H,7-12H2,1H3
InChIKeyQOBDYSKUZHDWOI-UHFFFAOYSA-N
XLogP2.19
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The IUPAC name of 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile (CID 15022) is 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile is CC(C#N)(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile?
The InChIKey is QOBDYSKUZHDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(13-16,14-5-3-2-4-6-14)7-8-17-9-11-18-12-10-17/h2-6H,7-12H2,1H3.
What are the key properties of 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile?
2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-2-phenylbutanenitrile is sourced from PubChem (CID 15022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).