2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile

C14H17F3N2O — CID 82958723

IUPAC2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCCNC(C#N)(COCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c1-2-19-13(10-18,12-6-4-3-5-7-12)11-20-9-8-14(15,16)17/h3-7,19H,2,8-9,11H2,1H3
InChIKeyFZHGJBLVCVNKBS-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.98
Rot. Bonds7

About 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile

2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile (PubChem CID 82958723) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
PubChem CID82958723
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCCNC(C#N)(COCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c1-2-19-13(10-18,12-6-4-3-5-7-12)11-20-9-8-14(15,16)17/h3-7,19H,2,8-9,11H2,1H3
InChIKeyFZHGJBLVCVNKBS-UHFFFAOYSA-N
XLogP2.98
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
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-methoxy-2-phenylbutanenitrile
CID 116692894
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958525
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 66227659
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)-2-phenylpropanenitrile
CID 106666625

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The IUPAC name of 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile (CID 82958723) is 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile is CCNC(C#N)(COCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The InChIKey is FZHGJBLVCVNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-19-13(10-18,12-6-4-3-5-7-12)11-20-9-8-14(15,16)17/h3-7,19H,2,8-9,11H2,1H3.
What are the key properties of 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile has a molecular weight of 286.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile is sourced from PubChem (CID 82958723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).