4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C15H25NO4 — CID 104561328

IUPAC4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCCOc1ccc(NCCOCCOCCOC)cc1
InChIInChI=1S/C15H25NO4/c1-3-20-15-6-4-14(5-7-15)16-8-9-18-12-13-19-11-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyOXVMVYMFPMMXND-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.18
Rot. Bonds12

About 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104561328) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104561328
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCCOc1ccc(NCCOCCOCCOC)cc1
InChIInChI=1S/C15H25NO4/c1-3-20-15-6-4-14(5-7-15)16-8-9-18-12-13-19-11-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyOXVMVYMFPMMXND-UHFFFAOYSA-N
XLogP2.18
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104567187
4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65025631
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-ethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471877
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 54805794
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104561328) is 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is CCOc1ccc(NCCOCCOCCOC)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is OXVMVYMFPMMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-20-15-6-4-14(5-7-15)16-8-9-18-12-13-19-11-10-17-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 2.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104561328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).