3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine

C18H25N3O — CID 46990966

IUPAC3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(C)CCOc1cc(C)ccc1C
InChIInChI=1S/C18H25N3O/c1-14-7-8-15(2)17(12-14)22-11-10-21(4)13-16-6-5-9-20-18(16)19-3/h5-9,12H,10-11,13H2,1-4H3,(H,19,20)
InChIKeyAZNFXHOQLREMOQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.25
Rot. Bonds7

About 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine

3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine (PubChem CID 46990966) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
PubChem CID46990966
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(C)CCOc1cc(C)ccc1C
InChIInChI=1S/C18H25N3O/c1-14-7-8-15(2)17(12-14)22-11-10-21(4)13-16-6-5-9-20-18(16)19-3/h5-9,12H,10-11,13H2,1-4H3,(H,19,20)
InChIKeyAZNFXHOQLREMOQ-UHFFFAOYSA-N
XLogP3.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
CID 112801651
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
3-(2,5-dimethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63939271
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46989448

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine (CID 46990966) is 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN(C)CCOc1cc(C)ccc1C.
What is the InChIKey of 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The InChIKey is AZNFXHOQLREMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-7-8-15(2)17(12-14)22-11-10-21(4)13-16-6-5-9-20-18(16)19-3/h5-9,12H,10-11,13H2,1-4H3,(H,19,20).
What are the key properties of 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 46990966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).