3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline

C23H25NO2 — CID 54801768

IUPAC3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline
SMILESCCOCCOc1cccc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H25NO2/c1-2-25-15-16-26-23-10-6-9-22(17-23)24-18-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14,17,24H,2,15-16,18H2,1H3
InChIKeyKPVOYTOLWBBJQI-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.38
Rot. Bonds9

About 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline

3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 54801768) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline
PubChem CID54801768
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline
SMILESCCOCCOc1cccc(NCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H25NO2/c1-2-25-15-16-26-23-10-6-9-22(17-23)24-18-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14,17,24H,2,15-16,18H2,1H3
InChIKeyKPVOYTOLWBBJQI-UHFFFAOYSA-N
XLogP5.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.38
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

3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
N-benzyl-3-[2-(4-bromophenyl)ethoxy]aniline;hydrochloride
CID 141349974
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline (CID 54801768) is 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline is CCOCCOc1cccc(NCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is KPVOYTOLWBBJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-2-25-15-16-26-23-10-6-9-22(17-23)24-18-19-11-13-21(14-12-19)20-7-4-3-5-8-20/h3-14,17,24H,2,15-16,18H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline?
3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 347.46 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 54801768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).