2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine

C11H16BrNO2 — CID 117437716

IUPAC2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Br)cc(OC)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-13-5-4-9-10(12)6-8(14-2)7-11(9)15-3/h6-7,13H,4-5H2,1-3H3
InChIKeyTXGKFEISFGOEHG-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine

2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine (PubChem CID 117437716) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
PubChem CID117437716
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
SMILESCNCCc1c(Br)cc(OC)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-13-5-4-9-10(12)6-8(14-2)7-11(9)15-3/h6-7,13H,4-5H2,1-3H3
InChIKeyTXGKFEISFGOEHG-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
2-(2,6-dichloro-4-methoxyphenyl)-N-methylethanamine
CID 84796736
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
CID 71850610
3-[(2-bromo-4,6-dimethoxyphenyl)methylamino]propanoic acid
CID 120913155
1-bromo-2-(isocyanatomethyl)-3,5-dimethoxybenzene
CID 117432552
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine (CID 117437716) is 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine is CNCCc1c(Br)cc(OC)cc1OC.
What is the InChIKey of 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is TXGKFEISFGOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13-5-4-9-10(12)6-8(14-2)7-11(9)15-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine?
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 117437716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).