[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine

C17H22N2O2 — CID 43254444

IUPAC[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOCCc1ccccn1
InChIInChI=1S/C17H22N2O2/c18-14-15-6-1-2-8-17(15)21-12-5-11-20-13-9-16-7-3-4-10-19-16/h1-4,6-8,10H,5,9,11-14,18H2
InChIKeyGJXDZJJMZXCFPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds9

About [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine

[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine (PubChem CID 43254444) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
PubChem CID43254444
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOCCc1ccccn1
InChIInChI=1S/C17H22N2O2/c18-14-15-6-1-2-8-17(15)21-12-5-11-20-13-9-16-7-3-4-10-19-16/h1-4,6-8,10H,5,9,11-14,18H2
InChIKeyGJXDZJJMZXCFPD-UHFFFAOYSA-N
XLogP2.57
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine (CID 43254444) is [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine is NCc1ccccc1OCCCOCCc1ccccn1.
What is the InChIKey of [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine?
The InChIKey is GJXDZJJMZXCFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-14-15-6-1-2-8-17(15)21-12-5-11-20-13-9-16-7-3-4-10-19-16/h1-4,6-8,10H,5,9,11-14,18H2.
What are the key properties of [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine?
[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).