N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine

C15H17BrN2O — CID 103953076

IUPACN-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cccc(Br)n1
InChIInChI=1S/C15H17BrN2O/c1-19-14-7-3-2-5-12(14)9-10-17-11-13-6-4-8-15(16)18-13/h2-8,17H,9-11H2,1H3
InChIKeyRCWBZTQIMJHMKZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.18
Rot. Bonds6

About N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine

N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 103953076) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID103953076
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cccc(Br)n1
InChIInChI=1S/C15H17BrN2O/c1-19-14-7-3-2-5-12(14)9-10-17-11-13-6-4-8-15(16)18-13/h2-8,17H,9-11H2,1H3
InChIKeyRCWBZTQIMJHMKZ-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine 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

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 103603783
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 106259683
1-[2-(2-methoxyphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111340690
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 103953076) is N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is RCWBZTQIMJHMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-19-14-7-3-2-5-12(14)9-10-17-11-13-6-4-8-15(16)18-13/h2-8,17H,9-11H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 103953076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).