N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine

C16H18BrNO2 — CID 83140186

IUPACN-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
SMILESCOc1cccc(Br)c1OCCNCc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-19-15-9-5-8-14(17)16(15)20-11-10-18-12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3
InChIKeyYERNGCAABIJDAX-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds7

About N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine

N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine (PubChem CID 83140186) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
PubChem CID83140186
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
SMILESCOc1cccc(Br)c1OCCNCc1ccccc1
InChIInChI=1S/C16H18BrNO2/c1-19-15-9-5-8-14(17)16(15)20-11-10-18-12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3
InChIKeyYERNGCAABIJDAX-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'}

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Related Compounds

3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
CID 83141185
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-benzyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 39368491
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine?
The IUPAC name of N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine (CID 83140186) is N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine is COc1cccc(Br)c1OCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine?
The InChIKey is YERNGCAABIJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-15-9-5-8-14(17)16(15)20-11-10-18-12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3.
What are the key properties of N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine?
N-benzyl-2-(2-bromo-6-methoxyphenoxy)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 N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine is sourced from PubChem (CID 83140186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).