3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine

C15H18BrN3O2 — CID 79530686

IUPAC3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
SMILESCOc1ccc(CCNc2ncc(N)cc2Br)cc1OC
InChIInChI=1S/C15H18BrN3O2/c1-20-13-4-3-10(7-14(13)21-2)5-6-18-15-12(16)8-11(17)9-19-15/h3-4,7-9H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyOXJRQAFUILYFMU-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.10
Rot. Bonds6

About 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine

3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine (PubChem CID 79530686) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
PubChem CID79530686
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
SMILESCOc1ccc(CCNc2ncc(N)cc2Br)cc1OC
InChIInChI=1S/C15H18BrN3O2/c1-20-13-4-3-10(7-14(13)21-2)5-6-18-15-12(16)8-11(17)9-19-15/h3-4,7-9H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyOXJRQAFUILYFMU-UHFFFAOYSA-N
XLogP3.10
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541569
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine (CID 79530686) is 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine is COc1ccc(CCNc2ncc(N)cc2Br)cc1OC.
What is the InChIKey of 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine?
The InChIKey is OXJRQAFUILYFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-20-13-4-3-10(7-14(13)21-2)5-6-18-15-12(16)8-11(17)9-19-15/h3-4,7-9H,5-6,17H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine?
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine has a molecular weight of 352.23 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 79530686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).