N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline

C17H19Cl2NO2 — CID 54798108

IUPACN-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2/c1-21-17-7-3-2-6-15(17)20-10-4-5-11-22-16-9-8-13(18)12-14(16)19/h2-3,6-9,12,20H,4-5,10-11H2,1H3
InChIKeyFNRBWBGNEJAZLW-UHFFFAOYSA-N
MW340.25 g/mol
LogP5.27
Rot. Bonds8

About N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline

N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline (PubChem CID 54798108) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
PubChem CID54798108
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC NameN-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
SMILESCOc1ccccc1NCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2/c1-21-17-7-3-2-6-15(17)20-10-4-5-11-22-16-9-8-13(18)12-14(16)19/h2-3,6-9,12,20H,4-5,10-11H2,1H3
InChIKeyFNRBWBGNEJAZLW-UHFFFAOYSA-N
XLogP5.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.25
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778
4-chloro-2-methyl-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095779
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
3-chloro-N-[4-(2,4-dichlorophenoxy)butyl]-4-fluoroaniline
CID 54798338
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
CID 54797951
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
2-(4-bromobutoxy)-N-(4-bromobutyl)-5-chloroaniline
CID 139649116
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline?
The IUPAC name of N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline (CID 54798108) is N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline.
What is the SMILES notation for N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline?
The canonical SMILES for N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline is COc1ccccc1NCCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline?
The InChIKey is FNRBWBGNEJAZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-21-17-7-3-2-6-15(17)20-10-4-5-11-22-16-9-8-13(18)12-14(16)19/h2-3,6-9,12,20H,4-5,10-11H2,1H3.
What are the key properties of N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline?
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline has a molecular weight of 340.25 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline is sourced from PubChem (CID 54798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).