2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile

C17H26N2O — CID 116693006

IUPAC2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-5-19-17(13-18,16-9-7-6-8-10-16)11-12-20-15(4)14(2)3/h6-10,14-15,19H,5,11-12H2,1-4H3
InChIKeyRLMMFQLKLHVCDG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.47
Rot. Bonds8

About 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile

2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile (PubChem CID 116693006) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
PubChem CID116693006
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-5-19-17(13-18,16-9-7-6-8-10-16)11-12-20-15(4)14(2)3/h6-10,14-15,19H,5,11-12H2,1-4H3
InChIKeyRLMMFQLKLHVCDG-UHFFFAOYSA-N
XLogP3.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 103489776
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501
2-(ethylamino)-3-(3-methylbutylsulfanyl)-2-phenylpropanenitrile
CID 107755086
2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutanenitrile
CID 116693349
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile (CID 116693006) is 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile is CCNC(C#N)(CCOC(C)C(C)C)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile?
The InChIKey is RLMMFQLKLHVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-19-17(13-18,16-9-7-6-8-10-16)11-12-20-15(4)14(2)3/h6-10,14-15,19H,5,11-12H2,1-4H3.
What are the key properties of 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile?
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile has a molecular weight of 274.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile is sourced from PubChem (CID 116693006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).