1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine

C13H18BrNO2 — CID 79367671

IUPAC1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cc(Br)ccc1OC
InChIInChI=1S/C13H18BrNO2/c1-15-8-9-5-6-17-13(9)11-7-10(14)3-4-12(11)16-2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeyROWZEZXVUIMUSI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine

1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 79367671) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID79367671
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cc(Br)ccc1OC
InChIInChI=1S/C13H18BrNO2/c1-15-8-9-5-6-17-13(9)11-7-10(14)3-4-12(11)16-2/h3-4,7,9,13,15H,5-6,8H2,1-2H3
InChIKeyROWZEZXVUIMUSI-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
2-(5-bromo-2-methoxyphenyl)-3-(chloromethyl)oxane
CID 79373071
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367948
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
[2-(2-bromo-4,5-dimethoxyphenyl)oxolan-3-yl]methanol
CID 79372971
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708175
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine (CID 79367671) is 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine is CNCC1CCOC1c1cc(Br)ccc1OC.
What is the InChIKey of 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is ROWZEZXVUIMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-15-8-9-5-6-17-13(9)11-7-10(14)3-4-12(11)16-2/h3-4,7,9,13,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine?
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 300.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79367671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).