2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine

C14H21NO3 — CID 63062163

IUPAC2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(OC)cc1CNCCOC
InChIInChI=1S/C14H21NO3/c1-4-8-18-14-6-5-13(17-3)10-12(14)11-15-7-9-16-2/h4-6,10,15H,1,7-9,11H2,2-3H3
InChIKeyOJDXUIMPPGAZCT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds9

About 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine

2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 63062163) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID63062163
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(OC)cc1CNCCOC
InChIInChI=1S/C14H21NO3/c1-4-8-18-14-6-5-13(17-3)10-12(14)11-15-7-9-16-2/h4-6,10,15H,1,7-9,11H2,2-3H3
InChIKeyOJDXUIMPPGAZCT-UHFFFAOYSA-N
XLogP2.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
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'}

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Related Compounds

2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine (CID 63062163) is 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(OC)cc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is OJDXUIMPPGAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-8-18-14-6-5-13(17-3)10-12(14)11-15-7-9-16-2/h4-6,10,15H,1,7-9,11H2,2-3H3.
What are the key properties of 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine?
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63062163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).