4-ethoxyaniline;2-ethylphenol

C16H21NO2 — CID 174728070

IUPAC4-ethoxyaniline;2-ethylphenol
SMILESCCOc1ccc(N)cc1.CCc1ccccc1O
InChIInChI=1S/C8H11NO.C8H10O/c1-2-10-8-5-3-7(9)4-6-8;1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3;3-6,9H,2H2,1H3
InChIKeyQVJCRHIDBQPFCA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.62
Rot. Bonds3

About 4-ethoxyaniline;2-ethylphenol

4-ethoxyaniline;2-ethylphenol (PubChem CID 174728070) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-ethoxyaniline;2-ethylphenol.

Molecular Properties

Compound Name4-ethoxyaniline;2-ethylphenol
PubChem CID174728070
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-ethoxyaniline;2-ethylphenol
SMILESCCOc1ccc(N)cc1.CCc1ccccc1O
InChIInChI=1S/C8H11NO.C8H10O/c1-2-10-8-5-3-7(9)4-6-8;1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3;3-6,9H,2H2,1H3
InChIKeyQVJCRHIDBQPFCA-UHFFFAOYSA-N
XLogP3.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 159726745
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4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500
N-[4-(4-ethoxyphenoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60615952
2-ethylphenol;formaldehyde;urea
CID 162140280
2-ethylphenol;1,3-xylene
CID 174948528
benzamide;1,4-diethoxybenzene
CID 162120306
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyaniline;2-ethylphenol?
The IUPAC name of 4-ethoxyaniline;2-ethylphenol (CID 174728070) is 4-ethoxyaniline;2-ethylphenol.
What is the SMILES notation for 4-ethoxyaniline;2-ethylphenol?
The canonical SMILES for 4-ethoxyaniline;2-ethylphenol is CCOc1ccc(N)cc1.CCc1ccccc1O.
What is the InChIKey of 4-ethoxyaniline;2-ethylphenol?
The InChIKey is QVJCRHIDBQPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C8H10O/c1-2-10-8-5-3-7(9)4-6-8;1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3;3-6,9H,2H2,1H3.
What are the key properties of 4-ethoxyaniline;2-ethylphenol?
4-ethoxyaniline;2-ethylphenol has a molecular weight of 259.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyaniline;2-ethylphenol is sourced from PubChem (CID 174728070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).