3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline

C25H29NO4 — CID 54802163

IUPAC3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1cccc(NCc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H29NO4/c1-2-27-15-16-30-25-10-6-7-22(19-25)26-20-21-11-13-24(14-12-21)29-18-17-28-23-8-4-3-5-9-23/h3-14,19,26H,2,15-18,20H2,1H3
InChIKeyPMXRSCUAXDCDQI-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.17
Rot. Bonds13

About 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline

3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (PubChem CID 54802163) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
PubChem CID54802163
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1cccc(NCc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H29NO4/c1-2-27-15-16-30-25-10-6-7-22(19-25)26-20-21-11-13-24(14-12-21)29-18-17-28-23-8-4-3-5-9-23/h3-14,19,26H,2,15-18,20H2,1H3
InChIKeyPMXRSCUAXDCDQI-UHFFFAOYSA-N
XLogP5.17
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
3-(2-ethoxyethoxy)-N-[(4-phenylphenyl)methyl]aniline
CID 54801768
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (CID 54802163) is 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is CCOCCOc1cccc(NCc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The InChIKey is PMXRSCUAXDCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-2-27-15-16-30-25-10-6-7-22(19-25)26-20-21-11-13-24(14-12-21)29-18-17-28-23-8-4-3-5-9-23/h3-14,19,26H,2,15-18,20H2,1H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline has a molecular weight of 407.51 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54802163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).