4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile

C16H24N2O3 — CID 63057649

IUPAC4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
SMILESCCOc1cccc(CNCCOC)c1OCCCC#N
InChIInChI=1S/C16H24N2O3/c1-3-20-15-8-6-7-14(13-18-10-12-19-2)16(15)21-11-5-4-9-17/h6-8,18H,3-5,10-13H2,1-2H3
InChIKeyVRSSZMMPPSIGDE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds11

About 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile

4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile (PubChem CID 63057649) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile.

Molecular Properties

Compound Name4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
PubChem CID63057649
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
SMILESCCOc1cccc(CNCCOC)c1OCCCC#N
InChIInChI=1S/C16H24N2O3/c1-3-20-15-8-6-7-14(13-18-10-12-19-2)16(15)21-11-5-4-9-17/h6-8,18H,3-5,10-13H2,1-2H3
InChIKeyVRSSZMMPPSIGDE-UHFFFAOYSA-N
XLogP2.50
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-ethoxy-6-(propylaminomethyl)phenoxy]butanenitrile
CID 60881898
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 63055961
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The IUPAC name of 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile (CID 63057649) is 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile.
What is the SMILES notation for 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The canonical SMILES for 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile is CCOc1cccc(CNCCOC)c1OCCCC#N.
What is the InChIKey of 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
The InChIKey is VRSSZMMPPSIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-8-6-7-14(13-18-10-12-19-2)16(15)21-11-5-4-9-17/h6-8,18H,3-5,10-13H2,1-2H3.
What are the key properties of 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile?
4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile has a molecular weight of 292.38 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile is sourced from PubChem (CID 63057649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).