4-(2-chloro-4-ethylphenoxy)aniline

C14H14ClNO — CID 22413866

IUPAC4-(2-chloro-4-ethylphenoxy)aniline
SMILESCCc1ccc(Oc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H14ClNO/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9H,2,16H2,1H3
InChIKeyLXUOUTKRGFLLSB-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.28
Rot. Bonds3

About 4-(2-chloro-4-ethylphenoxy)aniline

4-(2-chloro-4-ethylphenoxy)aniline (PubChem CID 22413866) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(2-chloro-4-ethylphenoxy)aniline.

Molecular Properties

Compound Name4-(2-chloro-4-ethylphenoxy)aniline
PubChem CID22413866
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-(2-chloro-4-ethylphenoxy)aniline
SMILESCCc1ccc(Oc2ccc(N)cc2)c(Cl)c1
InChIInChI=1S/C14H14ClNO/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9H,2,16H2,1H3
InChIKeyLXUOUTKRGFLLSB-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-ethylphenoxy)aniline?
The IUPAC name of 4-(2-chloro-4-ethylphenoxy)aniline (CID 22413866) is 4-(2-chloro-4-ethylphenoxy)aniline.
What is the SMILES notation for 4-(2-chloro-4-ethylphenoxy)aniline?
The canonical SMILES for 4-(2-chloro-4-ethylphenoxy)aniline is CCc1ccc(Oc2ccc(N)cc2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-ethylphenoxy)aniline?
The InChIKey is LXUOUTKRGFLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9H,2,16H2,1H3.
What are the key properties of 4-(2-chloro-4-ethylphenoxy)aniline?
4-(2-chloro-4-ethylphenoxy)aniline has a molecular weight of 247.73 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-ethylphenoxy)aniline is sourced from PubChem (CID 22413866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).