N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline

C23H23Cl2NO3 — CID 54801086

IUPACN-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
SMILESCC(CNc1ccccc1OCCOc1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2NO3/c1-17(29-22-12-11-18(24)15-20(22)25)16-26-21-9-5-6-10-23(21)28-14-13-27-19-7-3-2-4-8-19/h2-12,15,17,26H,13-14,16H2,1H3
InChIKeyLLMOUVFGHZXAJS-UHFFFAOYSA-N
MW432.35 g/mol
LogP6.33
Rot. Bonds10

About N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline

N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline (PubChem CID 54801086) has the molecular formula C23H23Cl2NO3 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
PubChem CID54801086
Molecular FormulaC23H23Cl2NO3
Molecular Weight432.35 g/mol
Exact Mass431.11
IUPAC NameN-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
SMILESCC(CNc1ccccc1OCCOc1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2NO3/c1-17(29-22-12-11-18(24)15-20(22)25)16-26-21-9-5-6-10-23(21)28-14-13-27-19-7-3-2-4-8-19/h2-12,15,17,26H,13-14,16H2,1H3
InChIKeyLLMOUVFGHZXAJS-UHFFFAOYSA-N
XLogP6.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
CID 54799235
N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
CID 54801144
N-[2-(2,4-dichlorophenoxy)propyl]-4-hexoxyaniline
CID 54798821
N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
CID 23963536
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
2-(2,4-dichlorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 42997775
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
N'-[2-(2,4-dichlorophenoxy)propanoyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955112
N-ethyl-2-(2-phenoxyethoxy)aniline
CID 54801094
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline (CID 54801086) is N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline is CC(CNc1ccccc1OCCOc1ccccc1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline?
The InChIKey is LLMOUVFGHZXAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO3/c1-17(29-22-12-11-18(24)15-20(22)25)16-26-21-9-5-6-10-23(21)28-14-13-27-19-7-3-2-4-8-19/h2-12,15,17,26H,13-14,16H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline?
N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline has a molecular weight of 432.35 g/mol, XLogP of 6.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54801086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).