2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine

C16H18BrNO2 — CID 60690018

IUPAC2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCOc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-16-5-3-2-4-13(16)12-18-10-11-20-15-8-6-14(17)7-9-15/h2-9,18H,10-12H2,1H3
InChIKeyIZDZZBHHHKCQIK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine

2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 60690018) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID60690018
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNCCOc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-16-5-3-2-4-13(16)12-18-10-11-20-15-8-6-14(17)7-9-15/h2-9,18H,10-12H2,1H3
InChIKeyIZDZZBHHHKCQIK-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]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-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]-2-phenoxyethanamine
CID 141088572
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
CID 82097699
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
N-[(2-bromophenyl)methyl]-2-phenoxyethanamine
CID 60657804
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 60690018) is 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is IZDZZBHHHKCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-16-5-3-2-4-13(16)12-18-10-11-20-15-8-6-14(17)7-9-15/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine?
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60690018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).