2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine

C15H19N3O — CID 79259130

IUPAC2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H19N3O/c1-16-12-7-8-17-13(9-12)11-19-15-6-4-5-14(10-15)18(2)3/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyPEFQXBXMFNXWJQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

About 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine

2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine (PubChem CID 79259130) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
PubChem CID79259130
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H19N3O/c1-16-12-7-8-17-13(9-12)11-19-15-6-4-5-14(10-15)18(2)3/h4-10H,11H2,1-3H3,(H,16,17)
InChIKeyPEFQXBXMFNXWJQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
CID 79251088
5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
CID 79251513
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
CID 79250827
2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
CID 107668074
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
N-methyl-2-(propoxymethyl)pyridin-4-amine
CID 79250658
5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
CID 62187827
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
CID 62584977

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine (CID 79259130) is 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine is CNc1ccnc(COc2cccc(N(C)C)c2)c1.
What is the InChIKey of 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine?
The InChIKey is PEFQXBXMFNXWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-12-7-8-17-13(9-12)11-19-15-6-4-5-14(10-15)18(2)3/h4-10H,11H2,1-3H3,(H,16,17).
What are the key properties of 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine?
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79259130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).