2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine

C16H20N2O — CID 112614730

IUPAC2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCc1cccc(CCN)c1OCCc1cccnc1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-15(7-9-17)16(13)19-11-8-14-5-3-10-18-12-14/h2-6,10,12H,7-9,11,17H2,1H3
InChIKeyABFQLJNJQXUMCY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.51
Rot. Bonds6

About 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine

2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine (PubChem CID 112614730) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
PubChem CID112614730
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
SMILESCc1cccc(CCN)c1OCCc1cccnc1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-15(7-9-17)16(13)19-11-8-14-5-3-10-18-12-14/h2-6,10,12H,7-9,11,17H2,1H3
InChIKeyABFQLJNJQXUMCY-UHFFFAOYSA-N
XLogP2.51
TPSA48.14 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
[3-methyl-2-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 107105932
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
5-[2-(2-aminoethyl)-6-methylphenoxy]pentanenitrile
CID 112614744
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
[3,5-dichloro-2-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63264977

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine (CID 112614730) is 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine is Cc1cccc(CCN)c1OCCc1cccnc1.
What is the InChIKey of 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
The InChIKey is ABFQLJNJQXUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-2-6-15(7-9-17)16(13)19-11-8-14-5-3-10-18-12-14/h2-6,10,12H,7-9,11,17H2,1H3.
What are the key properties of 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine?
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 112614730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).