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

C17H21NO3 — CID 89308088

IUPAC2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOCCOCc1ccccc1
InChIInChI=1S/C17H21NO3/c18-16-8-4-5-9-17(16)21-13-12-19-10-11-20-14-15-6-2-1-3-7-15/h1-9H,10-14,18H2
InChIKeyVNQCTHYEOHQIKK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds9

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

2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline (PubChem CID 89308088) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
PubChem CID89308088
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
SMILESNc1ccccc1OCCOCCOCc1ccccc1
InChIInChI=1S/C17H21NO3/c18-16-8-4-5-9-17(16)21-13-12-19-10-11-20-14-15-6-2-1-3-7-15/h1-9H,10-14,18H2
InChIKeyVNQCTHYEOHQIKK-UHFFFAOYSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline (CID 89308088) is 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline is Nc1ccccc1OCCOCCOCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
The InChIKey is VNQCTHYEOHQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c18-16-8-4-5-9-17(16)21-13-12-19-10-11-20-14-15-6-2-1-3-7-15/h1-9H,10-14,18H2.
What are the key properties of 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline?
2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline has a molecular weight of 287.36 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline is sourced from PubChem (CID 89308088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).