5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile

C16H24N2O2 — CID 106804515

IUPAC5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCOc1ccccc1OCCCC(C#N)(CC)NC
InChIInChI=1S/C16H24N2O2/c1-4-16(13-17,18-3)11-8-12-20-15-10-7-6-9-14(15)19-5-2/h6-7,9-10,18H,4-5,8,11-12H2,1-3H3
InChIKeyQGTYVPCAZAYZAB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.14
Rot. Bonds9

About 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile

5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804515) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804515
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCOc1ccccc1OCCCC(C#N)(CC)NC
InChIInChI=1S/C16H24N2O2/c1-4-16(13-17,18-3)11-8-12-20-15-10-7-6-9-14(15)19-5-2/h6-7,9-10,18H,4-5,8,11-12H2,1-3H3
InChIKeyQGTYVPCAZAYZAB-UHFFFAOYSA-N
XLogP3.14
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.14
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

5-(2,3-dimethylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804519
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
5-(3-tert-butylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804633
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
2-ethyl-2-(methylamino)-5-(4-methyl-2-nitrophenoxy)pentanenitrile
CID 106804713
2-ethyl-2-(methylamino)-5-(4-methylsulfonylphenoxy)pentanenitrile
CID 106804660
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
2-amino-2-ethyl-5-(2-methylphenoxy)pentanenitrile
CID 106804572
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
5-(1,3-benzodioxol-5-yloxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804442

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile (CID 106804515) is 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile is CCOc1ccccc1OCCCC(C#N)(CC)NC.
What is the InChIKey of 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is QGTYVPCAZAYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-16(13-17,18-3)11-8-12-20-15-10-7-6-9-14(15)19-5-2/h6-7,9-10,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile?
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 276.38 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).