1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine

C10H14BrNO3 — CID 117441818

IUPAC1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Br)c(OC)c1OC
InChIInChI=1S/C10H14BrNO3/c1-13-9-7(6-12-15-3)4-5-8(11)10(9)14-2/h4-5,12H,6H2,1-3H3
InChIKeyHHZBUNDHEXCHHR-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine

1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117441818) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117441818
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1ccc(Br)c(OC)c1OC
InChIInChI=1S/C10H14BrNO3/c1-13-9-7(6-12-15-3)4-5-8(11)10(9)14-2/h4-5,12H,6H2,1-3H3
InChIKeyHHZBUNDHEXCHHR-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-(2,3-dimethoxy-4-methylsulfonylphenyl)-N-methoxymethanamine
CID 117440327
1-(7-bromo-1,3-benzodioxol-4-yl)-N-methoxymethanamine
CID 117403772
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-N-methoxymethanamine
CID 117464938
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-bromo-4-(chloromethyl)-3-iodo-2-methoxybenzene
CID 171010289
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
1-bromo-2-methoxy-3-methyl-4-(2-nitroethyl)benzene
CID 70834021
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine (CID 117441818) is 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine is CONCc1ccc(Br)c(OC)c1OC.
What is the InChIKey of 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is HHZBUNDHEXCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-13-9-7(6-12-15-3)4-5-8(11)10(9)14-2/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine?
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 276.13 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117441818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).