5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile

C15H20N2O2 — CID 65344113

IUPAC5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCCC1COCCN1Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-3-14-11-19-7-6-17(14)10-12-4-5-15(18-2)13(8-12)9-16/h4-5,8,14H,3,6-7,10-11H2,1-2H3
InChIKeyYGXRPOLALKFSHH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds4

About 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile

5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile (PubChem CID 65344113) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
PubChem CID65344113
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCCC1COCCN1Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-3-14-11-19-7-6-17(14)10-12-4-5-15(18-2)13(8-12)9-16/h4-5,8,14H,3,6-7,10-11H2,1-2H3
InChIKeyYGXRPOLALKFSHH-UHFFFAOYSA-N
XLogP2.18
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344025
5-[(2,3-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 115752781
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
4-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethylmorpholine
CID 103998079

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile (CID 65344113) is 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile is CCC1COCCN1Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The InChIKey is YGXRPOLALKFSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-14-11-19-7-6-17(14)10-12-4-5-15(18-2)13(8-12)9-16/h4-5,8,14H,3,6-7,10-11H2,1-2H3.
What are the key properties of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).