3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile

C15H22N2O2 — CID 54949431

IUPAC3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1cccc(C#N)c1)C(C)COC
InChIInChI=1S/C15H22N2O2/c1-4-17(13(2)12-18-3)8-9-19-15-7-5-6-14(10-15)11-16/h5-7,10,13H,4,8-9,12H2,1-3H3
InChIKeyTZWZRZYNSLPTGP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds8

About 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile

3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile (PubChem CID 54949431) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
PubChem CID54949431
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1cccc(C#N)c1)C(C)COC
InChIInChI=1S/C15H22N2O2/c1-4-17(13(2)12-18-3)8-9-19-15-7-5-6-14(10-15)11-16/h5-7,10,13H,4,8-9,12H2,1-3H3
InChIKeyTZWZRZYNSLPTGP-UHFFFAOYSA-N
XLogP2.29
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
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3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
3-[3-(1-ethoxypropan-2-yloxy)propoxy]benzonitrile
CID 103488216
3-[2-[cyclobutylmethyl(ethyl)amino]ethoxy]benzonitrile
CID 107398684
3-[2-(3-methylbutoxy)ethoxy]benzonitrile
CID 43289461
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3-methylbenzonitrile
CID 114481121
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-(4-methylpentan-2-yloxy)ethoxy]benzonitrile
CID 43289571

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile (CID 54949431) is 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile is CCN(CCOc1cccc(C#N)c1)C(C)COC.
What is the InChIKey of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The InChIKey is TZWZRZYNSLPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(13(2)12-18-3)8-9-19-15-7-5-6-14(10-15)11-16/h5-7,10,13H,4,8-9,12H2,1-3H3.
What are the key properties of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile has a molecular weight of 262.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 54949431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).