5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile

C14H20N2O2 — CID 54966365

IUPAC5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
SMILESCCOc1cccc(CN)c1OCCCCC#N
InChIInChI=1S/C14H20N2O2/c1-2-17-13-8-6-7-12(11-16)14(13)18-10-5-3-4-9-15/h6-8H,2-5,10-11,16H2,1H3
InChIKeyVSUODKJFHZLIND-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.62
Rot. Bonds8

About 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile

5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile (PubChem CID 54966365) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile.

Molecular Properties

Compound Name5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
PubChem CID54966365
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
SMILESCCOc1cccc(CN)c1OCCCCC#N
InChIInChI=1S/C14H20N2O2/c1-2-17-13-8-6-7-12(11-16)14(13)18-10-5-3-4-9-15/h6-8H,2-5,10-11,16H2,1H3
InChIKeyVSUODKJFHZLIND-UHFFFAOYSA-N
XLogP2.62
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-ethoxy-6-(propylaminomethyl)phenoxy]butanenitrile
CID 60881898
[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 113473255
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 63057649
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
CID 61069210
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile?
The IUPAC name of 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile (CID 54966365) is 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile.
What is the SMILES notation for 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile?
The canonical SMILES for 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile is CCOc1cccc(CN)c1OCCCCC#N.
What is the InChIKey of 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile?
The InChIKey is VSUODKJFHZLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-17-13-8-6-7-12(11-16)14(13)18-10-5-3-4-9-15/h6-8H,2-5,10-11,16H2,1H3.
What are the key properties of 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile?
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile is sourced from PubChem (CID 54966365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).