N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline

C23H25NO2 — CID 54801279

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
SMILESCc1cc(C)cc(OCCNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-18-13-19(2)15-23(14-18)25-12-11-24-21-9-6-10-22(16-21)26-17-20-7-4-3-5-8-20/h3-10,13-16,24H,11-12,17H2,1-2H3
InChIKeyZNIDDNJEQJSWIF-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.37
Rot. Bonds8

About N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline

N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline (PubChem CID 54801279) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
PubChem CID54801279
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
SMILESCc1cc(C)cc(OCCNc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-18-13-19(2)15-23(14-18)25-12-11-24-21-9-6-10-22(16-21)26-17-20-7-4-3-5-8-20/h3-10,13-16,24H,11-12,17H2,1-2H3
InChIKeyZNIDDNJEQJSWIF-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
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-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-[2-(2,4-ditert-butylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801603
N-[2-(3,5-dimethylphenoxy)ethyl]-4-phenoxyaniline
CID 54796472
N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
CID 54802531
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline (CID 54801279) is N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline is Cc1cc(C)cc(OCCNc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline?
The InChIKey is ZNIDDNJEQJSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18-13-19(2)15-23(14-18)25-12-11-24-21-9-6-10-22(16-21)26-17-20-7-4-3-5-8-20/h3-10,13-16,24H,11-12,17H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline?
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline has a molecular weight of 347.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).