2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline

C20H27NO4 — CID 54801774

IUPAC2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline
SMILESCCOCCOc1ccccc1NCC(C)Oc1ccccc1OC
InChIInChI=1S/C20H27NO4/c1-4-23-13-14-24-18-10-6-5-9-17(18)21-15-16(2)25-20-12-8-7-11-19(20)22-3/h5-12,16,21H,4,13-15H2,1-3H3
InChIKeyBDCSLVKECCVTNE-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.99
Rot. Bonds11

About 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline

2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline (PubChem CID 54801774) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline
PubChem CID54801774
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline
SMILESCCOCCOc1ccccc1NCC(C)Oc1ccccc1OC
InChIInChI=1S/C20H27NO4/c1-4-23-13-14-24-18-10-6-5-9-17(18)21-15-16(2)25-20-12-8-7-11-19(20)22-3/h5-12,16,21H,4,13-15H2,1-3H3
InChIKeyBDCSLVKECCVTNE-UHFFFAOYSA-N
XLogP3.99
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.99
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-[2-(2-methoxyphenoxy)propyl]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-[2-(4-methoxyphenoxy)propyl]aniline
CID 54801773
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
1-[2-fluoro-6-[2-(2-methoxyphenoxy)propylamino]phenyl]ethanone
CID 133324534
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline (CID 54801774) is 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline is CCOCCOc1ccccc1NCC(C)Oc1ccccc1OC.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline?
The InChIKey is BDCSLVKECCVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-23-13-14-24-18-10-6-5-9-17(18)21-15-16(2)25-20-12-8-7-11-19(20)22-3/h5-12,16,21H,4,13-15H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline?
2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline has a molecular weight of 345.44 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenoxy)propyl]aniline is sourced from PubChem (CID 54801774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).