N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

C15H17BrN2O — CID 65323552

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Br)c(CNCc2cccc(C)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-11-4-3-5-13(18-11)10-17-9-12-8-14(19-2)6-7-15(12)16/h3-8,17H,9-10H2,1-2H3
InChIKeyAVKOIORTXDSJSV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 65323552) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID65323552
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Br)c(CNCc2cccc(C)n2)c1
InChIInChI=1S/C15H17BrN2O/c1-11-4-3-5-13(18-11)10-17-9-12-8-14(19-2)6-7-15(12)16/h3-8,17H,9-10H2,1-2H3
InChIKeyAVKOIORTXDSJSV-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine 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

1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
methyl 3-bromo-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 102766635
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 65324178
2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 65325616
N-[(2-bromo-5-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 65323575
1-(2-bromo-5-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114077651
3-bromo-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoic acid
CID 103247826
1-(2-bromo-5-methoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82738742

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 65323552) is N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is COc1ccc(Br)c(CNCc2cccc(C)n2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is AVKOIORTXDSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-4-3-5-13(18-11)10-17-9-12-8-14(19-2)6-7-15(12)16/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 321.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 65323552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).