5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile

C15H20N2O2 — CID 65344066

IUPAC5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN2CCOC(C)(C)C2)cc1C#N
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(6-7-19-15)10-12-4-5-14(18-3)13(8-12)9-16/h4-5,8H,6-7,10-11H2,1-3H3
InChIKeyQTBQLMPKECTCAB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds3

About 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile

5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile (PubChem CID 65344066) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
PubChem CID65344066
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN2CCOC(C)(C)C2)cc1C#N
InChIInChI=1S/C15H20N2O2/c1-15(2)11-17(6-7-19-15)10-12-4-5-14(18-3)13(8-12)9-16/h4-5,8H,6-7,10-11H2,1-3H3
InChIKeyQTBQLMPKECTCAB-UHFFFAOYSA-N
XLogP2.18
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzonitrile
CID 65344017
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107
2-methoxy-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 107392633
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile (CID 65344066) is 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile is COc1ccc(CN2CCOC(C)(C)C2)cc1C#N.
What is the InChIKey of 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
The InChIKey is QTBQLMPKECTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)11-17(6-7-19-15)10-12-4-5-14(18-3)13(8-12)9-16/h4-5,8H,6-7,10-11H2,1-3H3.
What are the key properties of 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile?
5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).