2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile

C17H27N3O — CID 116692501

IUPAC2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCN(CC)CCOC)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-19-17(15-18,16-9-7-6-8-10-16)11-12-20(5-2)13-14-21-3/h6-10,19H,4-5,11-14H2,1-3H3
InChIKeyVCLYOUAZUVOINS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.37
Rot. Bonds10

About 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile

2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile (PubChem CID 116692501) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
PubChem CID116692501
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCN(CC)CCOC)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-19-17(15-18,16-9-7-6-8-10-16)11-12-20(5-2)13-14-21-3/h6-10,19H,4-5,11-14H2,1-3H3
InChIKeyVCLYOUAZUVOINS-UHFFFAOYSA-N
XLogP2.37
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
CID 63955663
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile (CID 116692501) is 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile is CCNC(C#N)(CCN(CC)CCOC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
The InChIKey is VCLYOUAZUVOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-17(15-18,16-9-7-6-8-10-16)11-12-20(5-2)13-14-21-3/h6-10,19H,4-5,11-14H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile?
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile has a molecular weight of 289.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).