3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile

C15H20N2O — CID 55041215

IUPAC3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
SMILESCCNC(C#N)(COC1CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-17-15(11-16,12-18-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-10,12H2,1H3
InChIKeyDPFOLWFLGMPQJA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds6

About 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile

3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile (PubChem CID 55041215) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
PubChem CID55041215
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
SMILESCCNC(C#N)(COC1CCC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-2-17-15(11-16,12-18-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-10,12H2,1H3
InChIKeyDPFOLWFLGMPQJA-UHFFFAOYSA-N
XLogP2.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-phenylpropanenitrile
CID 63120185
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
CID 103537792
3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
CID 63955663
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile (CID 55041215) is 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile is CCNC(C#N)(COC1CCC1)c1ccccc1.
What is the InChIKey of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile?
The InChIKey is DPFOLWFLGMPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-17-15(11-16,12-18-14-9-6-10-14)13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-10,12H2,1H3.
What are the key properties of 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile?
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 55041215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).