2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine

C16H18ClNO2 — CID 114862746

IUPAC2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
SMILESCCOc1ccc(Oc2ccc(Cl)cc2CCN)cc1
InChIInChI=1S/C16H18ClNO2/c1-2-19-14-4-6-15(7-5-14)20-16-8-3-13(17)11-12(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3
InChIKeyYPGSDOFEDSXUJH-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.03
Rot. Bonds6

About 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine

2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine (PubChem CID 114862746) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
PubChem CID114862746
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
SMILESCCOc1ccc(Oc2ccc(Cl)cc2CCN)cc1
InChIInChI=1S/C16H18ClNO2/c1-2-19-14-4-6-15(7-5-14)20-16-8-3-13(17)11-12(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3
InChIKeyYPGSDOFEDSXUJH-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369658
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
2-[2-(5-chloro-2-ethoxyphenyl)ethyl]guanidine;hydroiodide
CID 109467659
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine (CID 114862746) is 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine is CCOc1ccc(Oc2ccc(Cl)cc2CCN)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine?
The InChIKey is YPGSDOFEDSXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-19-14-4-6-15(7-5-14)20-16-8-3-13(17)11-12(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3.
What are the key properties of 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114862746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).