1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine

C11H16BrNO4 — CID 117491265

IUPAC1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(OC)c(Br)cc(OC)c1OC
InChIInChI=1S/C11H16BrNO4/c1-14-9-5-8(12)10(15-2)7(6-13-17-4)11(9)16-3/h5,13H,6H2,1-4H3
InChIKeyUXEZKTHVMHLNBZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.13
Rot. Bonds6

About 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine

1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117491265) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
PubChem CID117491265
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(OC)c(Br)cc(OC)c1OC
InChIInChI=1S/C11H16BrNO4/c1-14-9-5-8(12)10(15-2)7(6-13-17-4)11(9)16-3/h5,13H,6H2,1-4H3
InChIKeyUXEZKTHVMHLNBZ-UHFFFAOYSA-N
XLogP2.13
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-bromo-3-(isocyanatomethyl)-2,4,5-trimethoxybenzene
CID 117486065
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
1-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117337458
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
2-bromo-1,4,5,7,8-pentamethoxynaphthalene
CID 139206863
1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
CID 117355207

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine (CID 117491265) is 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine is CONCc1c(OC)c(Br)cc(OC)c1OC.
What is the InChIKey of 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is UXEZKTHVMHLNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4/c1-14-9-5-8(12)10(15-2)7(6-13-17-4)11(9)16-3/h5,13H,6H2,1-4H3.
What are the key properties of 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine?
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 306.16 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).