N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline

C24H27NO2 — CID 54800211

IUPACN-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
SMILESCCc1ccc(OCCNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-2-20-8-12-23(13-9-20)27-19-17-25-22-10-14-24(15-11-22)26-18-16-21-6-4-3-5-7-21/h3-15,25H,2,16-19H2,1H3
InChIKeyQAXSDMDLMRXXDQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.36
Rot. Bonds10

About N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline

N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline (PubChem CID 54800211) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
PubChem CID54800211
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
SMILESCCc1ccc(OCCNc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-2-20-8-12-23(13-9-20)27-19-17-25-22-10-14-24(15-11-22)26-18-16-21-6-4-3-5-7-21/h3-15,25H,2,16-19H2,1H3
InChIKeyQAXSDMDLMRXXDQ-UHFFFAOYSA-N
XLogP5.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline (CID 54800211) is N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline is CCc1ccc(OCCNc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The InChIKey is QAXSDMDLMRXXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-20-8-12-23(13-9-20)27-19-17-25-22-10-14-24(15-11-22)26-18-16-21-6-4-3-5-7-21/h3-15,25H,2,16-19H2,1H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline has a molecular weight of 361.49 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline is sourced from PubChem (CID 54800211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).