2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile

C14H18N2O — CID 82081834

IUPAC2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2O/c1-14(12-15,16-7-9-17-10-8-16)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyGLUAWQIBMRQMSM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile

2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile (PubChem CID 82081834) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
PubChem CID82081834
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
SMILESCC(C#N)(Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18N2O/c1-14(12-15,16-7-9-17-10-8-16)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3
InChIKeyGLUAWQIBMRQMSM-UHFFFAOYSA-N
XLogP1.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile?
The IUPAC name of 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile (CID 82081834) is 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile is CC(C#N)(Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile?
The InChIKey is GLUAWQIBMRQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(12-15,16-7-9-17-10-8-16)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile?
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile has a molecular weight of 230.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile is sourced from PubChem (CID 82081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).