5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile

C16H24N2O3 — CID 63063532

IUPAC5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
SMILESCOCCNCc1cc(OC)ccc1OCCCCC#N
InChIInChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-12-15(20-2)6-7-16(14)21-10-5-3-4-8-17/h6-7,12,18H,3-5,9-11,13H2,1-2H3
InChIKeyOXWWECLXOOQCGE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds11

About 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile

5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile (PubChem CID 63063532) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile.

Molecular Properties

Compound Name5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
PubChem CID63063532
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
SMILESCOCCNCc1cc(OC)ccc1OCCCCC#N
InChIInChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-12-15(20-2)6-7-16(14)21-10-5-3-4-8-17/h6-7,12,18H,3-5,9-11,13H2,1-2H3
InChIKeyOXWWECLXOOQCGE-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-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
N-[(5-methoxy-2-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804351
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The IUPAC name of 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile (CID 63063532) is 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile.
What is the SMILES notation for 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The canonical SMILES for 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile is COCCNCc1cc(OC)ccc1OCCCCC#N.
What is the InChIKey of 5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
The InChIKey is OXWWECLXOOQCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-19-11-9-18-13-14-12-15(20-2)6-7-16(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-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile?
5-[4-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-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile is sourced from PubChem (CID 63063532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).