3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline

C14H12Cl3NO — CID 106891009

IUPAC3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
SMILESCCc1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-2-8-5-10(3-4-11(8)15)19-14-12(16)6-9(18)7-13(14)17/h3-7H,2,18H2,1H3
InChIKeyXYJXOWBVZFVIND-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.58
Rot. Bonds3

About 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline

3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline (PubChem CID 106891009) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
PubChem CID106891009
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
SMILESCCc1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-2-8-5-10(3-4-11(8)15)19-14-12(16)6-9(18)7-13(14)17/h3-7H,2,18H2,1H3
InChIKeyXYJXOWBVZFVIND-UHFFFAOYSA-N
XLogP5.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
4-(4-chloro-3-ethylphenoxy)-3,5-difluorobenzenecarbothioamide
CID 81286204
4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
CID 63735170
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloroaniline
CID 129199019
2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
CID 43451123
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
CID 166510697
2-chloro-4-(4-chloro-3-ethylphenoxy)benzenecarbothioamide
CID 63518433

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline (CID 106891009) is 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline is CCc1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1Cl.
What is the InChIKey of 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline?
The InChIKey is XYJXOWBVZFVIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-2-8-5-10(3-4-11(8)15)19-14-12(16)6-9(18)7-13(14)17/h3-7H,2,18H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline?
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline has a molecular weight of 316.62 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline is sourced from PubChem (CID 106891009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).