2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

C16H25NO3 — CID 63059744

IUPAC2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)cc1OCC=C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)7-9-20-16-11-15(19-4)6-5-14(16)12-17-8-10-18-3/h5-7,11,17H,8-10,12H2,1-4H3
InChIKeyNSINGIYZBSDHPD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds9

About 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (PubChem CID 63059744) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
PubChem CID63059744
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)cc1OCC=C(C)C
InChIInChI=1S/C16H25NO3/c1-13(2)7-9-20-16-11-15(19-4)6-5-14(16)12-17-8-10-18-3/h5-7,11,17H,8-10,12H2,1-4H3
InChIKeyNSINGIYZBSDHPD-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
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
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine (CID 63059744) is 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is COCCNCc1ccc(OC)cc1OCC=C(C)C.
What is the InChIKey of 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
The InChIKey is NSINGIYZBSDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)7-9-20-16-11-15(19-4)6-5-14(16)12-17-8-10-18-3/h5-7,11,17H,8-10,12H2,1-4H3.
What are the key properties of 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63059744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).