N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C15H18BrN3O — CID 104796391

IUPACN-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncc(Br)c2)cn1
InChIInChI=1S/C15H18BrN3O/c1-2-5-17-9-14-3-4-15(10-19-14)20-11-12-6-13(16)8-18-7-12/h3-4,6-8,10,17H,2,5,9,11H2,1H3
InChIKeyVKYPJSNMKWNHEG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.32
Rot. Bonds7

About N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 104796391) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID104796391
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncc(Br)c2)cn1
InChIInChI=1S/C15H18BrN3O/c1-2-5-17-9-14-3-4-15(10-19-14)20-11-12-6-13(16)8-18-7-12/h3-4,6-8,10,17H,2,5,9,11H2,1H3
InChIKeyVKYPJSNMKWNHEG-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687153
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 104796391) is N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cncc(Br)c2)cn1.
What is the InChIKey of N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is VKYPJSNMKWNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-5-17-9-14-3-4-15(10-19-14)20-11-12-6-13(16)8-18-7-12/h3-4,6-8,10,17H,2,5,9,11H2,1H3.
What are the key properties of N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 336.23 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 104796391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).