2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

C16H20N2O — CID 39358243

IUPAC2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(OCCNCc2ccccn2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-13-6-7-16(14(2)11-13)19-10-9-17-12-15-5-3-4-8-18-15/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyGXWINDACXLWIPX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 39358243) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID39358243
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(OCCNCc2ccccn2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-13-6-7-16(14(2)11-13)19-10-9-17-12-15-5-3-4-8-18-15/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyGXWINDACXLWIPX-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 62598888
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108870672
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 60684901
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60664869
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-[(4-bromothiophen-2-yl)methyl]-2-(2,4-dimethylphenoxy)ethanamine
CID 60664796
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (CID 39358243) is 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is Cc1ccc(OCCNCc2ccccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is GXWINDACXLWIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-6-7-16(14(2)11-13)19-10-9-17-12-15-5-3-4-8-18-15/h3-8,11,17H,9-10,12H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 39358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).