2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile

C16H24N2O2 — CID 107713907

IUPAC2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1ccccc1CCO
InChIInChI=1S/C16H24N2O2/c1-4-18-16(3,12-17)11-13(2)20-15-8-6-5-7-14(15)9-10-19/h5-8,13,18-19H,4,9-11H2,1-3H3
InChIKeyAHJUTQDYCYBJHT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds8

About 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile

2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile (PubChem CID 107713907) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
PubChem CID107713907
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1ccccc1CCO
InChIInChI=1S/C16H24N2O2/c1-4-18-16(3,12-17)11-13(2)20-15-8-6-5-7-14(15)9-10-19/h5-8,13,18-19H,4,9-11H2,1-3H3
InChIKeyAHJUTQDYCYBJHT-UHFFFAOYSA-N
XLogP2.27
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile (CID 107713907) is 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)Oc1ccccc1CCO.
What is the InChIKey of 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
The InChIKey is AHJUTQDYCYBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18-16(3,12-17)11-13(2)20-15-8-6-5-7-14(15)9-10-19/h5-8,13,18-19H,4,9-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile?
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile is sourced from PubChem (CID 107713907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).