5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine

C15H16BrN3O2 — CID 103517552

IUPAC5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16BrN3O2/c16-11-8-18-9-12(17)15(11)19-4-3-10-1-2-13-14(7-10)21-6-5-20-13/h1-2,7-9H,3-6,17H2,(H,18,19)
InChIKeyOKMDTJLLBWNSRL-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.85
Rot. Bonds4

About 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine

5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine (PubChem CID 103517552) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine
PubChem CID103517552
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16BrN3O2/c16-11-8-18-9-12(17)15(11)19-4-3-10-1-2-13-14(7-10)21-6-5-20-13/h1-2,7-9H,3-6,17H2,(H,18,19)
InChIKeyOKMDTJLLBWNSRL-UHFFFAOYSA-N
XLogP2.85
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine with MolForge

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Related Compounds

5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60647897
6-chloro-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrimidine-4,5-diamine
CID 63023407
3-chloro-1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzene-1,2-diamine
CID 104833960
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
4,5-dibromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 4652952
3,6-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine (CID 103517552) is 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine is Nc1cncc(Br)c1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is OKMDTJLLBWNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-8-18-9-12(17)15(11)19-4-3-10-1-2-13-14(7-10)21-6-5-20-13/h1-2,7-9H,3-6,17H2,(H,18,19).
What are the key properties of 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine?
5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 350.22 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 103517552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).