2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine

C23H25NO3 — CID 22686959

IUPAC2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-23-17-18(13-14-24)7-12-22(23)27-16-15-26-21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17H,13-16,24H2,1H3
InChIKeyLORVMQOTFXUQBI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.32
Rot. Bonds9

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

2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22686959) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22686959
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-23-17-18(13-14-24)7-12-22(23)27-16-15-26-21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17H,13-16,24H2,1H3
InChIKeyLORVMQOTFXUQBI-UHFFFAOYSA-N
XLogP4.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
2-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 22685432
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
ethyl 2-hydroxy-3-[3-methoxy-4-[3-(4-phenylphenoxy)propoxy]phenyl]propanoate
CID 142194138
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
2-[3-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115517679
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine (CID 22686959) is 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine is COc1cc(CCN)ccc1OCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is LORVMQOTFXUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-25-23-17-18(13-14-24)7-12-22(23)27-16-15-26-21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,17H,13-16,24H2,1H3.
What are the key properties of 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 363.46 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).