3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline

C20H27NO3 — CID 54802089

IUPAC3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
SMILESCCOCCOc1cccc(NCC(CC)Oc2ccccc2)c1
InChIInChI=1S/C20H27NO3/c1-3-18(24-19-10-6-5-7-11-19)16-21-17-9-8-12-20(15-17)23-14-13-22-4-2/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3
InChIKeyCFFWIJXBRTVOEL-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.37
Rot. Bonds11

About 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline

3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline (PubChem CID 54802089) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
PubChem CID54802089
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
SMILESCCOCCOc1cccc(NCC(CC)Oc2ccccc2)c1
InChIInChI=1S/C20H27NO3/c1-3-18(24-19-10-6-5-7-11-19)16-21-17-9-8-12-20(15-17)23-14-13-22-4-2/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3
InChIKeyCFFWIJXBRTVOEL-UHFFFAOYSA-N
XLogP4.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.37
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

3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline
CID 54801768
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
N-[2-(2-methylphenoxy)butyl]-3-(3-phenylpropoxy)aniline
CID 54801839
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline (CID 54802089) is 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline is CCOCCOc1cccc(NCC(CC)Oc2ccccc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline?
The InChIKey is CFFWIJXBRTVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-18(24-19-10-6-5-7-11-19)16-21-17-9-8-12-20(15-17)23-14-13-22-4-2/h5-12,15,18,21H,3-4,13-14,16H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline?
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline has a molecular weight of 329.44 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline is sourced from PubChem (CID 54802089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).