6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine

C15H19N3O2 — CID 80646577

IUPAC6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
SMILESCOc1ccc(CCNc2cccc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2/c1-19-12-7-6-11(10-13(12)20-2)8-9-17-15-5-3-4-14(16)18-15/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18)
InChIKeyUSCDZYGLAYIPGK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.34
Rot. Bonds6

About 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine

6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine (PubChem CID 80646577) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
PubChem CID80646577
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
SMILESCOc1ccc(CCNc2cccc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2/c1-19-12-7-6-11(10-13(12)20-2)8-9-17-15-5-3-4-14(16)18-15/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18)
InChIKeyUSCDZYGLAYIPGK-UHFFFAOYSA-N
XLogP2.34
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine (CID 80646577) is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine is COc1ccc(CCNc2cccc(N)n2)cc1OC.
What is the InChIKey of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is USCDZYGLAYIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-12-7-6-11(10-13(12)20-2)8-9-17-15-5-3-4-14(16)18-15/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18).
What are the key properties of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine?
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 80646577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).