2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline

C18H24N2O4 — CID 666143

IUPAC2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
SMILESNc1ccccc1OCCOCCOCCOc1ccccc1N
InChIInChI=1S/C18H24N2O4/c19-15-5-1-3-7-17(15)23-13-11-21-9-10-22-12-14-24-18-8-4-2-6-16(18)20/h1-8H,9-14,19-20H2
InChIKeyPRRXUXHKGRMPDN-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.34
Rot. Bonds11

About 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline

2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline (PubChem CID 666143) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
PubChem CID666143
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
SMILESNc1ccccc1OCCOCCOCCOc1ccccc1N
InChIInChI=1S/C18H24N2O4/c19-15-5-1-3-7-17(15)23-13-11-21-9-10-22-12-14-24-18-8-4-2-6-16(18)20/h1-8H,9-14,19-20H2
InChIKeyPRRXUXHKGRMPDN-UHFFFAOYSA-N
XLogP2.34
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-(cyclopropylmethoxy)ethoxy]aniline
CID 43366102
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
(2-aminophenoxy)methanol
CID 22976615
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-(3,3-difluoropropoxy)aniline
CID 84660949
2-octoxyaniline
CID 14747235
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
2-(2-cyclobutyloxyethoxy)aniline
CID 62116635
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline?
The IUPAC name of 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline (CID 666143) is 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline.
What is the SMILES notation for 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline?
The canonical SMILES for 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline is Nc1ccccc1OCCOCCOCCOc1ccccc1N.
What is the InChIKey of 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline?
The InChIKey is PRRXUXHKGRMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c19-15-5-1-3-7-17(15)23-13-11-21-9-10-22-12-14-24-18-8-4-2-6-16(18)20/h1-8H,9-14,19-20H2.
What are the key properties of 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline?
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline has a molecular weight of 332.40 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline is sourced from PubChem (CID 666143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).