2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine

C22H23NO2 — CID 57196084

IUPAC2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H23NO2/c1-24-21-12-5-6-13-22(21)25-15-14-23-17-18-8-7-11-20(16-18)19-9-3-2-4-10-19/h2-13,16,23H,14-15,17H2,1H3
InChIKeyXHEYPCAYQONWPJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.53
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine

2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine (PubChem CID 57196084) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
PubChem CID57196084
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H23NO2/c1-24-21-12-5-6-13-22(21)25-15-14-23-17-18-8-7-11-20(16-18)19-9-3-2-4-10-19/h2-13,16,23H,14-15,17H2,1H3
InChIKeyXHEYPCAYQONWPJ-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
CID 60676906
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine (CID 57196084) is 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine is COc1ccccc1OCCNCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine?
The InChIKey is XHEYPCAYQONWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-24-21-12-5-6-13-22(21)25-15-14-23-17-18-8-7-11-20(16-18)19-9-3-2-4-10-19/h2-13,16,23H,14-15,17H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine?
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine has a molecular weight of 333.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 57196084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).