2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile

C15H22N2O2 — CID 64727805

IUPAC2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-5-17-15(3,11-16)10-12(2)19-14-8-6-13(18-4)7-9-14/h6-9,12,17H,5,10H2,1-4H3
InChIKeyLFWGPEGKVIGKLK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds7

About 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile

2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile (PubChem CID 64727805) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
PubChem CID64727805
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-5-17-15(3,11-16)10-12(2)19-14-8-6-13(18-4)7-9-14/h6-9,12,17H,5,10H2,1-4H3
InChIKeyLFWGPEGKVIGKLK-UHFFFAOYSA-N
XLogP2.74
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
CID 64727839
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64854871
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
4-(3,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725409
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
4-(2-bromo-5-nitrophenoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 103012164
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64710362

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile (CID 64727805) is 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)Oc1ccc(OC)cc1.
What is the InChIKey of 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
The InChIKey is LFWGPEGKVIGKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-17-15(3,11-16)10-12(2)19-14-8-6-13(18-4)7-9-14/h6-9,12,17H,5,10H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile?
2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64727805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).