3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline

C15H14Cl3NO2 — CID 54798735

IUPAC3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-5-3-11(9-13(14)18)19-6-7-21-15-4-2-10(16)8-12(15)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyYRGZUYDWEDVCCL-UHFFFAOYSA-N
MW346.64 g/mol
LogP5.15
Rot. Bonds6

About 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline

3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline (PubChem CID 54798735) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
PubChem CID54798735
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-5-3-11(9-13(14)18)19-6-7-21-15-4-2-10(16)8-12(15)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyYRGZUYDWEDVCCL-UHFFFAOYSA-N
XLogP5.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 55.15
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-(2-tert-butylphenoxy)ethyl]-3-chloro-4-methoxyaniline
CID 54798707
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172
3-chloro-N-[4-(2,4-dichlorophenoxy)butyl]-4-fluoroaniline
CID 54798338
N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808244
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methoxyaniline
CID 54798694
methyl 2-acetyloxy-5-[2-(2,4-dichlorophenoxy)ethylamino]benzoate
CID 69402138
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
3-chloro-N-[2-(2,4-ditert-butylphenoxy)ethyl]-4-fluoroaniline
CID 54798275
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline?
The IUPAC name of 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline (CID 54798735) is 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline?
The canonical SMILES for 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline is COc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline?
The InChIKey is YRGZUYDWEDVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c1-20-14-5-3-11(9-13(14)18)19-6-7-21-15-4-2-10(16)8-12(15)17/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline?
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline has a molecular weight of 346.64 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline is sourced from PubChem (CID 54798735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).