N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine

C15H18BrN3O2 — CID 104796402

IUPACN-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2ccc(Br)cn2)cn1
InChIInChI=1S/C15H18BrN3O2/c1-20-7-6-17-9-13-4-5-15(10-19-13)21-11-14-3-2-12(16)8-18-14/h2-5,8,10,17H,6-7,9,11H2,1H3
InChIKeySUFHKIVEVBLJJQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.55
Rot. Bonds8

About N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine

N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 104796402) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID104796402
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2ccc(Br)cn2)cn1
InChIInChI=1S/C15H18BrN3O2/c1-20-7-6-17-9-13-4-5-15(10-19-13)21-11-14-3-2-12(16)8-18-14/h2-5,8,10,17H,6-7,9,11H2,1H3
InChIKeySUFHKIVEVBLJJQ-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794391
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine (CID 104796402) is N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OCc2ccc(Br)cn2)cn1.
What is the InChIKey of N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is SUFHKIVEVBLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-20-7-6-17-9-13-4-5-15(10-19-13)21-11-14-3-2-12(16)8-18-14/h2-5,8,10,17H,6-7,9,11H2,1H3.
What are the key properties of N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine?
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 352.23 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 104796402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).