4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline

C15H18N2O2 — CID 43366212

IUPAC4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
SMILESNc1ccc(OCCOCCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2/c16-13-4-6-15(7-5-13)19-12-11-18-10-8-14-3-1-2-9-17-14/h1-7,9H,8,10-12,16H2
InChIKeyQMIUBRQLIVDFER-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds7

About 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline

4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline (PubChem CID 43366212) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
PubChem CID43366212
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
SMILESNc1ccc(OCCOCCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2/c16-13-4-6-15(7-5-13)19-12-11-18-10-8-14-3-1-2-9-17-14/h1-7,9H,8,10-12,16H2
InChIKeyQMIUBRQLIVDFER-UHFFFAOYSA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline (CID 43366212) is 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline is Nc1ccc(OCCOCCc2ccccn2)cc1.
What is the InChIKey of 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline?
The InChIKey is QMIUBRQLIVDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-13-4-6-15(7-5-13)19-12-11-18-10-8-14-3-1-2-9-17-14/h1-7,9H,8,10-12,16H2.
What are the key properties of 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline?
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline has a molecular weight of 258.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline is sourced from PubChem (CID 43366212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).