2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile

C15H21FN2O — CID 64854871

IUPAC2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1cc(C)ccc1F
InChIInChI=1S/C15H21FN2O/c1-5-18-15(4,10-17)9-12(3)19-14-8-11(2)6-7-13(14)16/h6-8,12,18H,5,9H2,1-4H3
InChIKeyFESYTAQMVKNBPF-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.18
Rot. Bonds6

About 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile

2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile (PubChem CID 64854871) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
PubChem CID64854871
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1cc(C)ccc1F
InChIInChI=1S/C15H21FN2O/c1-5-18-15(4,10-17)9-12(3)19-14-8-11(2)6-7-13(14)16/h6-8,12,18H,5,9H2,1-4H3
InChIKeyFESYTAQMVKNBPF-UHFFFAOYSA-N
XLogP3.18
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727805
4-(2-methoxy-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725224
2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
CID 64727839
2-amino-4-(2-fluoro-5-methylphenoxy)-2-methylpentan-1-ol
CID 64855547
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069
4-(2-bromo-5-nitrophenoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 103012164
3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 64853489
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propylamino)butanenitrile
CID 64854867
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706636
2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64855633

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile (CID 64854871) is 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)Oc1cc(C)ccc1F.
What is the InChIKey of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile?
The InChIKey is FESYTAQMVKNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-5-18-15(4,10-17)9-12(3)19-14-8-11(2)6-7-13(14)16/h6-8,12,18H,5,9H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile?
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile has a molecular weight of 264.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64854871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).