2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine

C16H20N2O3 — CID 63987113

IUPAC2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2c(CCN)cccc2OC)n1
InChIInChI=1S/C16H20N2O3/c1-19-14-7-3-5-12(9-10-17)16(14)21-11-13-6-4-8-15(18-13)20-2/h3-8H,9-11,17H2,1-2H3
InChIKeySXGHHOVVGQDAKW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine

2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 63987113) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID63987113
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2c(CCN)cccc2OC)n1
InChIInChI=1S/C16H20N2O3/c1-19-14-7-3-5-12(9-10-17)16(14)21-11-13-6-4-8-15(18-13)20-2/h3-8H,9-11,17H2,1-2H3
InChIKeySXGHHOVVGQDAKW-UHFFFAOYSA-N
XLogP2.18
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(6-methoxy-2-pyridinyl)methoxy]-3-methylphenyl]ethanamine
CID 115957600
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63985124
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 54930681
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
[5-chloro-3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 104666095

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine (CID 63987113) is 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine is COc1cccc(COc2c(CCN)cccc2OC)n1.
What is the InChIKey of 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is SXGHHOVVGQDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-7-3-5-12(9-10-17)16(14)21-11-13-6-4-8-15(18-13)20-2/h3-8H,9-11,17H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine?
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63987113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).