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

C24H27NO2 — CID 54802531

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OCCNc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO2/c1-19-11-12-20(2)24(17-19)27-16-14-25-22-9-6-10-23(18-22)26-15-13-21-7-4-3-5-8-21/h3-12,17-18,25H,13-16H2,1-2H3
InChIKeyATADAXCQVAYXGE-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.42
Rot. Bonds9

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

N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline (PubChem CID 54802531) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
PubChem CID54802531
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OCCNc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO2/c1-19-11-12-20(2)24(17-19)27-16-14-25-22-9-6-10-23(18-22)26-15-13-21-7-4-3-5-8-21/h3-12,17-18,25H,13-16H2,1-2H3
InChIKeyATADAXCQVAYXGE-UHFFFAOYSA-N
XLogP5.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.42
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-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutoxy)aniline
CID 54800506
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
3-butan-2-yloxy-N-[2-(2,5-dimethylphenoxy)ethyl]aniline
CID 54802671
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800197
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801896
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline (CID 54802531) is N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline is Cc1ccc(C)c(OCCNc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline?
The InChIKey is ATADAXCQVAYXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19-11-12-20(2)24(17-19)27-16-14-25-22-9-6-10-23(18-22)26-15-13-21-7-4-3-5-8-21/h3-12,17-18,25H,13-16H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline?
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline has a molecular weight of 361.49 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline is sourced from PubChem (CID 54802531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).