4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile

C13H16N2O2 — CID 79674457

IUPAC4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
SMILESCOc1ccccc1CN1CCOC(C#N)C1
InChIInChI=1S/C13H16N2O2/c1-16-13-5-3-2-4-11(13)9-15-6-7-17-12(8-14)10-15/h2-5,12H,6-7,9-10H2,1H3
InChIKeyNUUAVFMGQOMTMY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.42
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile

4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile (PubChem CID 79674457) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
PubChem CID79674457
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
SMILESCOc1ccccc1CN1CCOC(C#N)C1
InChIInChI=1S/C13H16N2O2/c1-16-13-5-3-2-4-11(13)9-15-6-7-17-12(8-14)10-15/h2-5,12H,6-7,9-10H2,1H3
InChIKeyNUUAVFMGQOMTMY-UHFFFAOYSA-N
XLogP1.42
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
(5aS,8aS)-7-[(2-methoxyphenyl)methyl]-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420164
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
4-[(2-methyl-3-nitrophenyl)methyl]morpholine-2-carbonitrile
CID 78946105
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
(5aS,8aS)-7-[(2-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420340
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855
1-[(4aS,8aS)-6-[(2-methoxyphenyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 98896503

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile (CID 79674457) is 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile is COc1ccccc1CN1CCOC(C#N)C1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The InChIKey is NUUAVFMGQOMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-13-5-3-2-4-11(13)9-15-6-7-17-12(8-14)10-15/h2-5,12H,6-7,9-10H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile?
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile has a molecular weight of 232.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).