2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile

C16H22N2O2 — CID 107667870

IUPAC2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
SMILESCCc1ccc(OCC(C)(C#N)NC2CC2)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-8-14(15(9-12)19-3)20-11-16(2,10-17)18-13-6-7-13/h5,8-9,13,18H,4,6-7,11H2,1-3H3
InChIKeyGAQFEXMOFPTXCT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.67
Rot. Bonds7

About 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile

2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile (PubChem CID 107667870) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
PubChem CID107667870
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
SMILESCCc1ccc(OCC(C)(C#N)NC2CC2)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-4-12-5-8-14(15(9-12)19-3)20-11-16(2,10-17)18-13-6-7-13/h5,8-9,13,18H,4,6-7,11H2,1-3H3
InChIKeyGAQFEXMOFPTXCT-UHFFFAOYSA-N
XLogP2.67
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 103866440
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
(2R)-2-(chloromethylamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
CID 164554047
3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 107668926
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile
CID 107744303

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile (CID 107667870) is 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile is CCc1ccc(OCC(C)(C#N)NC2CC2)c(OC)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile?
The InChIKey is GAQFEXMOFPTXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12-5-8-14(15(9-12)19-3)20-11-16(2,10-17)18-13-6-7-13/h5,8-9,13,18H,4,6-7,11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile?
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile has a molecular weight of 274.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile is sourced from PubChem (CID 107667870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).