2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile

C16H24N2O — CID 43289090

IUPAC2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile
SMILESCCC(C)N(CC)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C16H24N2O/c1-4-14(3)18(5-2)12-13-19-16-8-6-15(7-9-16)10-11-17/h6-9,14H,4-5,10,12-13H2,1-3H3
InChIKeyRMXUPJZMUNTZJK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.25
Rot. Bonds8

About 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile

2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile (PubChem CID 43289090) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile
PubChem CID43289090
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile
SMILESCCC(C)N(CC)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C16H24N2O/c1-4-14(3)18(5-2)12-13-19-16-8-6-15(7-9-16)10-11-17/h6-9,14H,4-5,10,12-13H2,1-3H3
InChIKeyRMXUPJZMUNTZJK-UHFFFAOYSA-N
XLogP3.25
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
2-[4-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethoxy]phenyl]acetonitrile
CID 115638344
2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]acetonitrile
CID 64692433
2-[4-(2-hydroxybutoxy)phenyl]acetonitrile
CID 60884579
N-butan-2-yl-N-ethyl-5-(4-methylphenoxy)pentan-1-amine iodide
CID 157424944
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919
2-[4-[2-(4-bromophenoxy)ethoxy]phenyl]acetonitrile
CID 43243666
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842
2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243687
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile (CID 43289090) is 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile is CCC(C)N(CC)CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile?
The InChIKey is RMXUPJZMUNTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14(3)18(5-2)12-13-19-16-8-6-15(7-9-16)10-11-17/h6-9,14H,4-5,10,12-13H2,1-3H3.
What are the key properties of 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile?
2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[butan-2-yl(ethyl)amino]ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43289090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).