2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline

C20H27NO3 — CID 54801709

IUPAC2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C20H27NO3/c1-3-13-23-18-11-9-17(10-12-18)16-21-19-7-5-6-8-20(19)24-15-14-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyXASYHPIWBLLTMD-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.50
Rot. Bonds11

About 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline

2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline (PubChem CID 54801709) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
PubChem CID54801709
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2ccccc2OCCOCC)cc1
InChIInChI=1S/C20H27NO3/c1-3-13-23-18-11-9-17(10-12-18)16-21-19-7-5-6-8-20(19)24-15-14-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyXASYHPIWBLLTMD-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
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

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline (CID 54801709) is 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline is CCCOc1ccc(CNc2ccccc2OCCOCC)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline?
The InChIKey is XASYHPIWBLLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-13-23-18-11-9-17(10-12-18)16-21-19-7-5-6-8-20(19)24-15-14-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline?
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline has a molecular weight of 329.44 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 54801709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).