2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

C16H19NO2 — CID 11702057

IUPAC2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(CCN)cc2)c1
InChIInChI=1S/C16H19NO2/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyFRLUDDJOWYFNNC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 11702057) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID11702057
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2ccc(CCN)cc2)c1
InChIInChI=1S/C16H19NO2/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyFRLUDDJOWYFNNC-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (CID 11702057) is 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine is COc1cccc(COc2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is FRLUDDJOWYFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9-10,12,17H2,1H3.
What are the key properties of 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 11702057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).