1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine

C16H18BrNO2 — CID 104707855

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-11(18-2)13-6-4-5-7-15(13)20-16-9-8-12(19-3)10-14(16)17/h4-11,18H,1-3H3
InChIKeyQVQGKZODOAIOHL-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.53
Rot. Bonds5

About 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine

1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine (PubChem CID 104707855) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
PubChem CID104707855
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C16H18BrNO2/c1-11(18-2)13-6-4-5-7-15(13)20-16-9-8-12(19-3)10-14(16)17/h4-11,18H,1-3H3
InChIKeyQVQGKZODOAIOHL-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[2-(2,5-dimethylphenoxy)phenyl]-N-methylethanamine
CID 43285451
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
1-[2-(4-bromo-2-nitrophenoxy)phenyl]-N-methylethanamine
CID 65430547
N-methyl-1-[2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244244
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine (CID 104707855) is 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccccc1Oc1ccc(OC)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine?
The InChIKey is QVQGKZODOAIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(18-2)13-6-4-5-7-15(13)20-16-9-8-12(19-3)10-14(16)17/h4-11,18H,1-3H3.
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine?
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine has a molecular weight of 336.23 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 104707855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).