2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile

C19H20N2O2 — CID 131888327

IUPAC2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile
SMILES[2H]C(C#N)(c1ccc(OCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H20N2O2/c20-14-19(21-10-12-22-13-11-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16/h1-9,19H,10-13,15H2/i19D
InChIKeyPOQSMNBVCMTXPZ-YUIGOLOMSA-N
MW309.39 g/mol
LogP3.16
Rot. Bonds5

About 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile

2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile (PubChem CID 131888327) has the molecular formula C19H20N2O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile
PubChem CID131888327
Molecular FormulaC19H20N2O2
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile
SMILES[2H]C(C#N)(c1ccc(OCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H20N2O2/c20-14-19(21-10-12-22-13-11-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16/h1-9,19H,10-13,15H2/i19D
InChIKeyPOQSMNBVCMTXPZ-YUIGOLOMSA-N
XLogP3.16
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile (CID 131888327) is 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile is [2H]C(C#N)(c1ccc(OCc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile?
The InChIKey is POQSMNBVCMTXPZ-YUIGOLOMSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-14-19(21-10-12-22-13-11-21)17-6-8-18(9-7-17)23-15-16-4-2-1-3-5-16/h1-9,19H,10-13,15H2/i19D.
What are the key properties of 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile?
2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile has a molecular weight of 309.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 131888327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).