2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

C15H17BrN2O — CID 107286479

IUPAC2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(Br)cc1OCCNCc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12-5-6-13(16)10-15(12)19-9-8-17-11-14-4-2-3-7-18-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyOEQOWDBKZUHCCB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.32
Rot. Bonds6

About 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 107286479) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID107286479
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(Br)cc1OCCNCc1ccccn1
InChIInChI=1S/C15H17BrN2O/c1-12-5-6-13(16)10-15(12)19-9-8-17-11-14-4-2-3-7-18-14/h2-7,10,17H,8-9,11H2,1H3
InChIKeyOEQOWDBKZUHCCB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)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

2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 62598888
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
2-(5-bromo-2-methylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107286383
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-benzyl-2-(4-bromo-2-methylphenoxy)ethanamine
CID 2181552
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 60684901
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (CID 107286479) is 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is Cc1ccc(Br)cc1OCCNCc1ccccn1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is OEQOWDBKZUHCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-12-5-6-13(16)10-15(12)19-9-8-17-11-14-4-2-3-7-18-14/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 107286479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).