1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine

C10H13BrClNO3 — CID 117495457

IUPAC1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)cc(Br)c(OC)c1OC
InChIInChI=1S/C10H13BrClNO3/c1-14-9-6(5-13-16-3)8(12)4-7(11)10(9)15-2/h4,13H,5H2,1-3H3
InChIKeyMAMMEGOTCUCVKB-UHFFFAOYSA-N
MW310.58 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine

1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117495457) has the molecular formula C10H13BrClNO3 and a molecular weight of 310.58 g/mol. Its IUPAC name is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117495457
Molecular FormulaC10H13BrClNO3
Molecular Weight310.58 g/mol
Exact Mass308.98
IUPAC Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1c(Cl)cc(Br)c(OC)c1OC
InChIInChI=1S/C10H13BrClNO3/c1-14-9-6(5-13-16-3)8(12)4-7(11)10(9)15-2/h4,13H,5H2,1-3H3
InChIKeyMAMMEGOTCUCVKB-UHFFFAOYSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 52.77
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

5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
CID 117403358
1-(3-bromo-2,5,6-trimethoxyphenyl)-N-methoxymethanamine
CID 117491265
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(6-bromo-2-ethyl-3,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117489365
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine (CID 117495457) is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine is CONCc1c(Cl)cc(Br)c(OC)c1OC.
What is the InChIKey of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is MAMMEGOTCUCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3/c1-14-9-6(5-13-16-3)8(12)4-7(11)10(9)15-2/h4,13H,5H2,1-3H3.
What are the key properties of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine?
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 310.58 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117495457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).