N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline

C18H21Cl2NO3 — CID 54801778

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1ccccc1NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO3/c1-2-22-11-12-24-18-6-4-3-5-16(18)21-9-10-23-17-8-7-14(19)13-15(17)20/h3-8,13,21H,2,9-12H2,1H3
InChIKeyJWLUIEWHUANIAT-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.90
Rot. Bonds10

About N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline

N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline (PubChem CID 54801778) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
PubChem CID54801778
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1ccccc1NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2NO3/c1-2-22-11-12-24-18-6-4-3-5-16(18)21-9-10-23-17-8-7-14(19)13-15(17)20/h3-8,13,21H,2,9-12H2,1H3
InChIKeyJWLUIEWHUANIAT-UHFFFAOYSA-N
XLogP4.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
CID 54797951
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
N-(3,5-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827277
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
2-(2,4-dichlorophenoxy)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 86821663

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline (CID 54801778) is N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline is CCOCCOc1ccccc1NCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline?
The InChIKey is JWLUIEWHUANIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c1-2-22-11-12-24-18-6-4-3-5-16(18)21-9-10-23-17-8-7-14(19)13-15(17)20/h3-8,13,21H,2,9-12H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline?
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline has a molecular weight of 370.28 g/mol, XLogP of 4.90, 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)ethyl]-2-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 54801778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).