N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline

C18H22ClNO3 — CID 54802134

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO3/c1-2-21-12-13-22-16-7-5-6-15(14-16)20-10-11-23-18-9-4-3-8-17(18)19/h3-9,14,20H,2,10-13H2,1H3
InChIKeyFFALGINHBKBZHK-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.25
Rot. Bonds10

About N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline

N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline (PubChem CID 54802134) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
PubChem CID54802134
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1cccc(NCCOc2ccccc2Cl)c1
InChIInChI=1S/C18H22ClNO3/c1-2-21-12-13-22-16-7-5-6-15(14-16)20-10-11-23-18-9-4-3-8-17(18)19/h3-9,14,20H,2,10-13H2,1H3
InChIKeyFFALGINHBKBZHK-UHFFFAOYSA-N
XLogP4.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.25
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-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
CID 54802157
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline (CID 54802134) is N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline is CCOCCOc1cccc(NCCOc2ccccc2Cl)c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
The InChIKey is FFALGINHBKBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-2-21-12-13-22-16-7-5-6-15(14-16)20-10-11-23-18-9-4-3-8-17(18)19/h3-9,14,20H,2,10-13H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline?
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline has a molecular weight of 335.83 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 54802134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).