N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine

C10H16BrN3O — CID 79717746

IUPACN-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCOCCN
InChIInChI=1S/C10H16BrN3O/c1-8-6-9(11)7-14-10(8)13-3-5-15-4-2-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyMVFQXEJIWFJFKE-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine

N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine (PubChem CID 79717746) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
PubChem CID79717746
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCOCCN
InChIInChI=1S/C10H16BrN3O/c1-8-6-9(11)7-14-10(8)13-3-5-15-4-2-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyMVFQXEJIWFJFKE-UHFFFAOYSA-N
XLogP1.54
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine (CID 79717746) is N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCOCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine?
The InChIKey is MVFQXEJIWFJFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-8-6-9(11)7-14-10(8)13-3-5-15-4-2-12/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine has a molecular weight of 274.16 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 79717746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).