4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile

C15H22N2O2 — CID 82951565

IUPAC4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile
SMILESCOCCN(CC(O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-12(2)17(8-9-19-3)11-15(18)14-6-4-13(10-16)5-7-14/h4-7,12,15,18H,8-9,11H2,1-3H3
InChIKeyQJGPBNWQYBBNJP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds7

About 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile

4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile (PubChem CID 82951565) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile
PubChem CID82951565
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile
SMILESCOCCN(CC(O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-12(2)17(8-9-19-3)11-15(18)14-6-4-13(10-16)5-7-14/h4-7,12,15,18H,8-9,11H2,1-3H3
InChIKeyQJGPBNWQYBBNJP-UHFFFAOYSA-N
XLogP1.95
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
3-[2-(4-cyanophenoxy)ethyl-propan-2-ylamino]propanoic acid
CID 60838663
4-[1-hydroxy-2-[methyl(2-methylbutyl)amino]ethyl]benzonitrile
CID 43295785
4-[2-[bis(cyanomethyl)amino]-1-hydroxyethyl]benzonitrile
CID 43288643
4-[3-(dimethylamino)-1-hydroxypropyl]benzonitrile
CID 19025856
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
4-[1-hydroxy-2-(N-methylanilino)ethyl]benzonitrile
CID 43288570
4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 43569122
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile (CID 82951565) is 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile is COCCN(CC(O)c1ccc(C#N)cc1)C(C)C.
What is the InChIKey of 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile?
The InChIKey is QJGPBNWQYBBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)17(8-9-19-3)11-15(18)14-6-4-13(10-16)5-7-14/h4-7,12,15,18H,8-9,11H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile?
4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile has a molecular weight of 262.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 82951565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).