4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

C23H25NO2 — CID 126128892

IUPAC4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H25NO2/c1-3-25-22-13-11-21(12-14-22)24-16-20-5-4-6-23(15-20)26-17-19-9-7-18(2)8-10-19/h4-15,24H,3,16-17H2,1-2H3
InChIKeyZWZUFUCUPWLVQG-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.58
Rot. Bonds8

About 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline

4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126128892) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
PubChem CID126128892
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H25NO2/c1-3-25-22-13-11-21(12-14-22)24-16-20-5-4-6-23(15-20)26-17-19-9-7-18(2)8-10-19/h4-15,24H,3,16-17H2,1-2H3
InChIKeyZWZUFUCUPWLVQG-UHFFFAOYSA-N
XLogP5.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126118107
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline (CID 126128892) is 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is CCOc1ccc(NCc2cccc(OCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is ZWZUFUCUPWLVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-25-22-13-11-21(12-14-22)24-16-20-5-4-6-23(15-20)26-17-19-9-7-18(2)8-10-19/h4-15,24H,3,16-17H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline?
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 347.46 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126128892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).