2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile

C16H24N2O2 — CID 63686596

IUPAC2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
SMILESCCCOCCOCC(C#N)(NCC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-10-19-11-12-20-14-16(13-17,18-4-2)15-8-6-5-7-9-15/h5-9,18H,3-4,10-12,14H2,1-2H3
InChIKeySTLRLQWONYDPEV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds10

About 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile

2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile (PubChem CID 63686596) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
PubChem CID63686596
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
SMILESCCCOCCOCC(C#N)(NCC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-10-19-11-12-20-14-16(13-17,18-4-2)15-8-6-5-7-9-15/h5-9,18H,3-4,10-12,14H2,1-2H3
InChIKeySTLRLQWONYDPEV-UHFFFAOYSA-N
XLogP2.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486
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-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
CID 103404528

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile?
The IUPAC name of 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile (CID 63686596) is 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile is CCCOCCOCC(C#N)(NCC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile?
The InChIKey is STLRLQWONYDPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-19-11-12-20-14-16(13-17,18-4-2)15-8-6-5-7-9-15/h5-9,18H,3-4,10-12,14H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile?
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile is sourced from PubChem (CID 63686596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).