2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine

C17H21NO2 — CID 10956623

IUPAC2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine
SMILESCOc1ccc(OCCc2ccccc2)cc1CCN
InChIInChI=1S/C17H21NO2/c1-19-17-8-7-16(13-15(17)9-11-18)20-12-10-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyXZYBODNZTGTBIN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds7

About 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine

2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 10956623) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine
PubChem CID10956623
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine
SMILESCOc1ccc(OCCc2ccccc2)cc1CCN
InChIInChI=1S/C17H21NO2/c1-19-17-8-7-16(13-15(17)9-11-18)20-12-10-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyXZYBODNZTGTBIN-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine (CID 10956623) is 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine is COc1ccc(OCCc2ccccc2)cc1CCN.
What is the InChIKey of 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is XZYBODNZTGTBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17-8-7-16(13-15(17)9-11-18)20-12-10-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3.
What are the key properties of 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine?
2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 10956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).