2-(ethylamino)-4-methoxy-2-phenylbutanenitrile

C13H18N2O — CID 116692894

IUPAC2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-15-13(11-14,9-10-16-2)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3
InChIKeyMYFQQGZPHAWWSR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds6

About 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile

2-(ethylamino)-4-methoxy-2-phenylbutanenitrile (PubChem CID 116692894) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
PubChem CID116692894
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCOC)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-15-13(11-14,9-10-16-2)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3
InChIKeyMYFQQGZPHAWWSR-UHFFFAOYSA-N
XLogP2.05
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
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
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 103489776
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile (CID 116692894) is 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile is CCNC(C#N)(CCOC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile?
The InChIKey is MYFQQGZPHAWWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-13(11-14,9-10-16-2)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile?
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methoxy-2-phenylbutanenitrile is sourced from PubChem (CID 116692894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).