1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine

C11H16BrNO2 — CID 13212596

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)c(CN(C)C)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-13(2)7-8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,7H2,1-4H3
InChIKeyOLIQTZNTSFIJHO-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 13212596) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID13212596
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(Br)c(CN(C)C)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-13(2)7-8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,7H2,1-4H3
InChIKeyOLIQTZNTSFIJHO-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 75467083
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796332
(2-bromo-4,5-dimethoxyphenyl)methyl-trifluoroboranuide
CID 171374056
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 119098888
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
[2-(dimethylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921159
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 60888177
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine (CID 13212596) is 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine is COc1cc(Br)c(CN(C)C)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is OLIQTZNTSFIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13(2)7-8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,7H2,1-4H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 13212596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).