2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C16H22BrNO2 — CID 65325475

IUPAC2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)C1CC2CCC1O2
InChIInChI=1S/C16H22BrNO2/c1-18-15(13-9-12-4-6-16(13)20-12)8-10-7-11(19-2)3-5-14(10)17/h3,5,7,12-13,15-16,18H,4,6,8-9H2,1-2H3
InChIKeyBXQOEMHGDYANBO-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 65325475) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID65325475
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)C1CC2CCC1O2
InChIInChI=1S/C16H22BrNO2/c1-18-15(13-9-12-4-6-16(13)20-12)8-10-7-11(19-2)3-5-14(10)17/h3,5,7,12-13,15-16,18H,4,6,8-9H2,1-2H3
InChIKeyBXQOEMHGDYANBO-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine with MolForge

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104793964
2-(2,3-dichlorophenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107308630
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 115862199
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105150997
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986427
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 65325475) is 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CNC(Cc1cc(OC)ccc1Br)C1CC2CCC1O2.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is BXQOEMHGDYANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-18-15(13-9-12-4-6-16(13)20-12)8-10-7-11(19-2)3-5-14(10)17/h3,5,7,12-13,15-16,18H,4,6,8-9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 340.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 65325475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).