2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine

C14H19NO3 — CID 63060100

IUPAC2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1cc(OC)ccc1CNCCOC
InChIInChI=1S/C14H19NO3/c1-4-8-18-14-10-13(17-3)6-5-12(14)11-15-7-9-16-2/h1,5-6,10,15H,7-9,11H2,2-3H3
InChIKeyBJWZVPHMXVJJPM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds8

About 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine

2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine (PubChem CID 63060100) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
PubChem CID63060100
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILESC#CCOc1cc(OC)ccc1CNCCOC
InChIInChI=1S/C14H19NO3/c1-4-8-18-14-10-13(17-3)6-5-12(14)11-15-7-9-16-2/h1,5-6,10,15H,7-9,11H2,2-3H3
InChIKeyBJWZVPHMXVJJPM-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
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
2-methoxy-N-[(6-prop-2-ynoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 63059599
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
N-[(2,4-dimethoxyphenyl)methyl]prop-2-yn-1-amine;ethane
CID 171535788
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine (CID 63060100) is 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine is C#CCOc1cc(OC)ccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine?
The InChIKey is BJWZVPHMXVJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-8-18-14-10-13(17-3)6-5-12(14)11-15-7-9-16-2/h1,5-6,10,15H,7-9,11H2,2-3H3.
What are the key properties of 2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine?
2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 1.44, 8 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-prop-2-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63060100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).