2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine

C17H21NO3 — CID 63071959

IUPAC2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1Oc1ccccc1OC
InChIInChI=1S/C17H21NO3/c1-19-12-11-18-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-2/h3-10,18H,11-13H2,1-2H3
InChIKeyJUMORSIOFJYFSU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.22
Rot. Bonds8

About 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine (PubChem CID 63071959) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
PubChem CID63071959
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1Oc1ccccc1OC
InChIInChI=1S/C17H21NO3/c1-19-12-11-18-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-2/h3-10,18H,11-13H2,1-2H3
InChIKeyJUMORSIOFJYFSU-UHFFFAOYSA-N
XLogP3.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.22
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-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine (CID 63071959) is 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine is COCCNCc1ccccc1Oc1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine?
The InChIKey is JUMORSIOFJYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-12-11-18-13-14-7-3-4-8-15(14)21-17-10-6-5-9-16(17)20-2/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63071959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).