2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine

C15H24N2O3 — CID 22687397

IUPAC2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-18-14-3-2-13(4-5-16)12-15(14)20-11-8-17-6-9-19-10-7-17/h2-3,12H,4-11,16H2,1H3
InChIKeyIFLHQBYWXKMJJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.91
Rot. Bonds7

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

2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine (PubChem CID 22687397) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
PubChem CID22687397
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCN1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-18-14-3-2-13(4-5-16)12-15(14)20-11-8-17-6-9-19-10-7-17/h2-3,12H,4-11,16H2,1H3
InChIKeyIFLHQBYWXKMJJZ-UHFFFAOYSA-N
XLogP0.91
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine (CID 22687397) is 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine is COc1ccc(CCN)cc1OCCN1CCOCC1.
What is the InChIKey of 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine?
The InChIKey is IFLHQBYWXKMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-14-3-2-13(4-5-16)12-15(14)20-11-8-17-6-9-19-10-7-17/h2-3,12H,4-11,16H2,1H3.
What are the key properties of 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine?
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 22687397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).