4-(2-phenylethyl)morpholine-2-carbonitrile

C13H16N2O — CID 79674801

IUPAC4-(2-phenylethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CCc2ccccc2)CCO1
InChIInChI=1S/C13H16N2O/c14-10-13-11-15(8-9-16-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-9,11H2
InChIKeyJZGVNBBWSNBBIG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.45
Rot. Bonds3

About 4-(2-phenylethyl)morpholine-2-carbonitrile

4-(2-phenylethyl)morpholine-2-carbonitrile (PubChem CID 79674801) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-phenylethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-phenylethyl)morpholine-2-carbonitrile
PubChem CID79674801
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2-phenylethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CCc2ccccc2)CCO1
InChIInChI=1S/C13H16N2O/c14-10-13-11-15(8-9-16-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-9,11H2
InChIKeyJZGVNBBWSNBBIG-UHFFFAOYSA-N
XLogP1.45
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 124945226
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 102604196
(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 125493415
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)morpholine-2-carbonitrile
CID 79674788
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-phenylethyl)morpholine-2-carbonitrile (CID 79674801) is 4-(2-phenylethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-phenylethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-phenylethyl)morpholine-2-carbonitrile is N#CC1CN(CCc2ccccc2)CCO1.
What is the InChIKey of 4-(2-phenylethyl)morpholine-2-carbonitrile?
The InChIKey is JZGVNBBWSNBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-13-11-15(8-9-16-13)7-6-12-4-2-1-3-5-12/h1-5,13H,6-9,11H2.
What are the key properties of 4-(2-phenylethyl)morpholine-2-carbonitrile?
4-(2-phenylethyl)morpholine-2-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).