N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine

C11H16BrNO2 — CID 171934444

IUPACN-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Br)cccc1OC
InChIInChI=1S/C11H16BrNO2/c1-14-7-6-13-8-9-10(12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyIJUYTBIPXMBMBJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.19
Rot. Bonds6

About N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine

N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 171934444) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID171934444
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Br)cccc1OC
InChIInChI=1S/C11H16BrNO2/c1-14-7-6-13-8-9-10(12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3
InChIKeyIJUYTBIPXMBMBJ-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine 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

2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine (CID 171934444) is N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1c(Br)cccc1OC.
What is the InChIKey of N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is IJUYTBIPXMBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-7-6-13-8-9-10(12)4-3-5-11(9)15-2/h3-5,13H,6-8H2,1-2H3.
What are the key properties of N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine?
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 171934444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).