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

C16H24N2O3 — CID 63058679

IUPAC5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
SMILESCOCCNCc1ccc(OC)cc1OCCCCC#N
InChIInChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-6-7-15(20-2)12-16(14)21-10-5-3-4-8-17/h6-7,12,18H,3-5,9-11,13H2,1-2H3
InChIKeyDMRGPXZUZGAKHZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds11

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

5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile (PubChem CID 63058679) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile.

Molecular Properties

Compound Name5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
PubChem CID63058679
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
SMILESCOCCNCc1ccc(OC)cc1OCCCCC#N
InChIInChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-6-7-15(20-2)12-16(14)21-10-5-3-4-8-17/h6-7,12,18H,3-5,9-11,13H2,1-2H3
InChIKeyDMRGPXZUZGAKHZ-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

5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63060100
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983

Frequently Asked Questions

What is the IUPAC name of 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The IUPAC name of 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile (CID 63058679) is 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile.
What is the SMILES notation for 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The canonical SMILES for 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile is COCCNCc1ccc(OC)cc1OCCCCC#N.
What is the InChIKey of 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The InChIKey is DMRGPXZUZGAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-6-7-15(20-2)12-16(14)21-10-5-3-4-8-17/h6-7,12,18H,3-5,9-11,13H2,1-2H3.
What are the key properties of 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile 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 5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile is sourced from PubChem (CID 63058679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).