1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

C17H20BrNO2 — CID 104659871

IUPAC1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1ccccc1OCCOC
InChIInChI=1S/C17H20BrNO2/c1-19-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyCUMSOVZUHWYNPM-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.78
Rot. Bonds7

About 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 104659871) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
PubChem CID104659871
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1ccccc1OCCOC
InChIInChI=1S/C17H20BrNO2/c1-19-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyCUMSOVZUHWYNPM-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.78
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

1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
[(3-bromophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105197869
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
1-(2-methoxyphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116543823
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (CID 104659871) is 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is CNC(c1cccc(Br)c1)c1ccccc1OCCOC.
What is the InChIKey of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is CUMSOVZUHWYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)21-11-10-20-2/h3-9,12,17,19H,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 104659871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).