2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine

C16H19NO3 — CID 58027581

IUPAC2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1ccccc1COc1cccc(OCCN)c1
InChIInChI=1S/C16H19NO3/c1-18-16-8-3-2-5-13(16)12-20-15-7-4-6-14(11-15)19-10-9-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyKMQXWTSBDQSEPX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.61
Rot. Bonds7

About 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine

2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine (PubChem CID 58027581) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
PubChem CID58027581
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1ccccc1COc1cccc(OCCN)c1
InChIInChI=1S/C16H19NO3/c1-18-16-8-3-2-5-13(16)12-20-15-7-4-6-14(11-15)19-10-9-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyKMQXWTSBDQSEPX-UHFFFAOYSA-N
XLogP2.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine?
The IUPAC name of 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine (CID 58027581) is 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine.
What is the SMILES notation for 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine?
The canonical SMILES for 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine is COc1ccccc1COc1cccc(OCCN)c1.
What is the InChIKey of 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine?
The InChIKey is KMQXWTSBDQSEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-16-8-3-2-5-13(16)12-20-15-7-4-6-14(11-15)19-10-9-17/h2-8,11H,9-10,12,17H2,1H3.
What are the key properties of 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine?
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine has a molecular weight of 273.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine is sourced from PubChem (CID 58027581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).