2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine

C17H22N2O2 — CID 60684620

IUPAC2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCCOc1ccc(OCCNCc2cccnc2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-11-20-16-5-7-17(8-6-16)21-12-10-19-14-15-4-3-9-18-13-15/h3-9,13,19H,2,10-12,14H2,1H3
InChIKeyUIHVLPSUNGNDLA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.04
Rot. Bonds9

About 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine

2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 60684620) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID60684620
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCCCOc1ccc(OCCNCc2cccnc2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-11-20-16-5-7-17(8-6-16)21-12-10-19-14-15-4-3-9-18-13-15/h3-9,13,19H,2,10-12,14H2,1H3
InChIKeyUIHVLPSUNGNDLA-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 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 ≤ 53.04
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

2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 28671880
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
3-[2-(pyridin-3-ylmethylamino)ethoxy]benzoic acid
CID 103236276
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine (CID 60684620) is 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine is CCCOc1ccc(OCCNCc2cccnc2)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is UIHVLPSUNGNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-11-20-16-5-7-17(8-6-16)21-12-10-19-14-15-4-3-9-18-13-15/h3-9,13,19H,2,10-12,14H2,1H3.
What are the key properties of 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine?
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 60684620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).