2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine

C14H20N2O2 — CID 65364901

IUPAC2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cccc2c1ccn2COC
InChIInChI=1S/C14H20N2O2/c1-17-9-7-15-10-12-4-3-5-14-13(12)6-8-16(14)11-18-2/h3-6,8,15H,7,9-11H2,1-2H3
InChIKeyTZOVXHMKYFDMRH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds7

About 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine (PubChem CID 65364901) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
PubChem CID65364901
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cccc2c1ccn2COC
InChIInChI=1S/C14H20N2O2/c1-17-9-7-15-10-12-4-3-5-14-13(12)6-8-16(14)11-18-2/h3-6,8,15H,7,9-11H2,1-2H3
InChIKeyTZOVXHMKYFDMRH-UHFFFAOYSA-N
XLogP1.98
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
CID 65364705
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
CID 79186206

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine (CID 65364901) is 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine is COCCNCc1cccc2c1ccn2COC.
What is the InChIKey of 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine?
The InChIKey is TZOVXHMKYFDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-9-7-15-10-12-4-3-5-14-13(12)6-8-16(14)11-18-2/h3-6,8,15H,7,9-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65364901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).