5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine

C15H19N3O — CID 80730242

IUPAC5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-18(8-5-12-3-6-17-7-4-12)14-9-13(16)10-15(11-14)19-2/h3-4,6-7,9-11H,5,8,16H2,1-2H3
InChIKeyYPPRYWFETLDGSA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds5

About 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine

5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine (PubChem CID 80730242) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
PubChem CID80730242
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-18(8-5-12-3-6-17-7-4-12)14-9-13(16)10-15(11-14)19-2/h3-4,6-7,9-11H,5,8,16H2,1-2H3
InChIKeyYPPRYWFETLDGSA-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
3-(3-amino-5-methoxy-N-methylanilino)propanenitrile
CID 80726034
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725896
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041341
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
6-N,8-dimethyl-6-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,6-diamine
CID 82555417

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine (CID 80730242) is 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine is COc1cc(N)cc(N(C)CCc2ccncc2)c1.
What is the InChIKey of 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is YPPRYWFETLDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(8-5-12-3-6-17-7-4-12)14-9-13(16)10-15(11-14)19-2/h3-4,6-7,9-11H,5,8,16H2,1-2H3.
What are the key properties of 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine?
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 80730242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).