4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile

C16H24N2O — CID 55143340

IUPAC4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1ccccc1C(C)CC
InChIInChI=1S/C16H24N2O/c1-4-13(3)15-8-6-7-9-16(15)19-11-10-14(12-17)18-5-2/h6-9,13-14,18H,4-5,10-11H2,1-3H3
InChIKeyOWVHDKRIKMTYHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.47
Rot. Bonds8

About 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile

4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile (PubChem CID 55143340) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
PubChem CID55143340
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1ccccc1C(C)CC
InChIInChI=1S/C16H24N2O/c1-4-13(3)15-8-6-7-9-16(15)19-11-10-14(12-17)18-5-2/h6-9,13-14,18H,4-5,10-11H2,1-3H3
InChIKeyOWVHDKRIKMTYHP-UHFFFAOYSA-N
XLogP3.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
2-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43080642
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
methyl 4-(2-butan-2-ylphenoxy)-2-(methylamino)butanoate
CID 63041617
4-(2-tert-butylphenoxy)-2-(propylamino)butanenitrile
CID 63029977
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
4-(2-fluorophenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027275

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile (CID 55143340) is 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile is CCNC(C#N)CCOc1ccccc1C(C)CC.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile?
The InChIKey is OWVHDKRIKMTYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-13(3)15-8-6-7-9-16(15)19-11-10-14(12-17)18-5-2/h6-9,13-14,18H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile?
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 55143340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).