2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile

C14H20N2O3 — CID 63057613

IUPAC2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile
SMILESCOCCNCc1ccc(OC)c(OC(C)C#N)c1
InChIInChI=1S/C14H20N2O3/c1-11(9-15)19-14-8-12(4-5-13(14)18-3)10-16-6-7-17-2/h4-5,8,11,16H,6-7,10H2,1-3H3
InChIKeyIJAVXLUVZMAFMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile

2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile (PubChem CID 63057613) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile
PubChem CID63057613
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile
SMILESCOCCNCc1ccc(OC)c(OC(C)C#N)c1
InChIInChI=1S/C14H20N2O3/c1-11(9-15)19-14-8-12(4-5-13(14)18-3)10-16-6-7-17-2/h4-5,8,11,16H,6-7,10H2,1-3H3
InChIKeyIJAVXLUVZMAFMA-UHFFFAOYSA-N
XLogP1.72
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
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

2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
2-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 63057712
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile?
The IUPAC name of 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile (CID 63057613) is 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile.
What is the SMILES notation for 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile?
The canonical SMILES for 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile is COCCNCc1ccc(OC)c(OC(C)C#N)c1.
What is the InChIKey of 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile?
The InChIKey is IJAVXLUVZMAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(9-15)19-14-8-12(4-5-13(14)18-3)10-16-6-7-17-2/h4-5,8,11,16H,6-7,10H2,1-3H3.
What are the key properties of 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile?
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile has a molecular weight of 264.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanenitrile is sourced from PubChem (CID 63057613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).