3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile

C14H20N2O2 — CID 61361621

IUPAC3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
SMILESCOc1ccccc1OCCN(C)C(C)CC#N
InChIInChI=1S/C14H20N2O2/c1-12(8-9-15)16(2)10-11-18-14-7-5-4-6-13(14)17-3/h4-7,12H,8,10-11H2,1-3H3
InChIKeyGSOPWOPSVRKUSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.31
Rot. Bonds7

About 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile

3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile (PubChem CID 61361621) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
PubChem CID61361621
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
SMILESCOc1ccccc1OCCN(C)C(C)CC#N
InChIInChI=1S/C14H20N2O2/c1-12(8-9-15)16(2)10-11-18-14-7-5-4-6-13(14)17-3/h4-7,12H,8,10-11H2,1-3H3
InChIKeyGSOPWOPSVRKUSD-UHFFFAOYSA-N
XLogP2.31
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 55175904
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
CID 63583349
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
3-(2-methoxyphenoxy)pentanenitrile
CID 43367814
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]butanenitrile
CID 103172838
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
CID 103908563
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzenecarbothioamide
CID 104552086
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile?
The IUPAC name of 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile (CID 61361621) is 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile is COc1ccccc1OCCN(C)C(C)CC#N.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile?
The InChIKey is GSOPWOPSVRKUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12(8-9-15)16(2)10-11-18-14-7-5-4-6-13(14)17-3/h4-7,12H,8,10-11H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile?
3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile is sourced from PubChem (CID 61361621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).