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

C15H22N2O2 — CID 63654501

IUPAC2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOc1ccccc1CO
InChIInChI=1S/C15H22N2O2/c1-3-17-15(2,12-16)9-6-10-19-14-8-5-4-7-13(14)11-18/h4-5,7-8,17-18H,3,6,9-11H2,1-2H3
InChIKeyCHRPMEUDOBGFCK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds8

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

2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile (PubChem CID 63654501) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
PubChem CID63654501
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOc1ccccc1CO
InChIInChI=1S/C15H22N2O2/c1-3-17-15(2,12-16)9-6-10-19-14-8-5-4-7-13(14)11-18/h4-5,7-8,17-18H,3,6,9-11H2,1-2H3
InChIKeyCHRPMEUDOBGFCK-UHFFFAOYSA-N
XLogP2.23
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
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-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713923
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
6-(2,6-difluorophenoxy)-2-(ethylamino)-2-methylhexanenitrile
CID 81268081
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
(2-octoxyphenyl)methanol
CID 43128604
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
5-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylpentanenitrile
CID 103289485

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile (CID 63654501) is 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile is CCNC(C)(C#N)CCCOc1ccccc1CO.
What is the InChIKey of 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile?
The InChIKey is CHRPMEUDOBGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17-15(2,12-16)9-6-10-19-14-8-5-4-7-13(14)11-18/h4-5,7-8,17-18H,3,6,9-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile?
2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile is sourced from PubChem (CID 63654501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).