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

C25H29NO4 — CID 54801760

IUPAC2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H29NO4/c1-2-27-16-17-30-25-11-7-6-10-24(25)26-20-21-12-14-23(15-13-21)29-19-18-28-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3
InChIKeyDVVSFNAHQVRCEV-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.17
Rot. Bonds13

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

2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (PubChem CID 54801760) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
PubChem CID54801760
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCCOCCOc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C25H29NO4/c1-2-27-16-17-30-25-11-7-6-10-24(25)26-20-21-12-14-23(15-13-21)29-19-18-28-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3
InChIKeyDVVSFNAHQVRCEV-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 2-(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

2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
N-ethyl-2-(2-phenoxyethoxy)aniline
CID 54801094
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (CID 54801760) is 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is CCOCCOc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The InChIKey is DVVSFNAHQVRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-2-27-16-17-30-25-11-7-6-10-24(25)26-20-21-12-14-23(15-13-21)29-19-18-28-22-8-4-3-5-9-22/h3-15,26H,2,16-20H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
2-(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 2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54801760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).