2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile

C16H24N2O2 — CID 107713923

IUPAC2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOc1ccccc1CCO
InChIInChI=1S/C16H24N2O2/c1-3-18-16(2,13-17)10-6-12-20-15-8-5-4-7-14(15)9-11-19/h4-5,7-8,18-19H,3,6,9-12H2,1-2H3
InChIKeySLWPCKIBURBXFR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds9

About 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile

2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile (PubChem CID 107713923) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
PubChem CID107713923
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOc1ccccc1CCO
InChIInChI=1S/C16H24N2O2/c1-3-18-16(2,13-17)10-6-12-20-15-8-5-4-7-14(15)9-11-19/h4-5,7-8,18-19H,3,6,9-12H2,1-2H3
InChIKeySLWPCKIBURBXFR-UHFFFAOYSA-N
XLogP2.27
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
CID 63654501
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
CID 107713909
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 107714016
2-(2-pentoxyphenyl)ethanol
CID 91657515
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
CID 81268081
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile (CID 107713923) is 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile is CCNC(C)(C#N)CCCOc1ccccc1CCO.
What is the InChIKey of 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The InChIKey is SLWPCKIBURBXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-16(2,13-17)10-6-12-20-15-8-5-4-7-14(15)9-11-19/h4-5,7-8,18-19H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile is sourced from PubChem (CID 107713923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).