1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine

C10H13BrFNO3 — CID 117474393

IUPAC1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(OC)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO3/c1-14-9-6(5-13-16-3)4-7(12)10(15-2)8(9)11/h4,13H,5H2,1-3H3
InChIKeyMXJWZWMINBZTDR-UHFFFAOYSA-N
MW294.12 g/mol
LogP2.26
Rot. Bonds5

About 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine

1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine (PubChem CID 117474393) has the molecular formula C10H13BrFNO3 and a molecular weight of 294.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
PubChem CID117474393
Molecular FormulaC10H13BrFNO3
Molecular Weight294.12 g/mol
Exact Mass293.01
IUPAC Name1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(OC)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO3/c1-14-9-6(5-13-16-3)4-7(12)10(15-2)8(9)11/h4,13H,5H2,1-3H3
InChIKeyMXJWZWMINBZTDR-UHFFFAOYSA-N
XLogP2.26
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 52.26
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-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
CID 117414396
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]-N-methoxymethanamine
CID 117330352
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine (CID 117474393) is 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine is CONCc1cc(F)c(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine?
The InChIKey is MXJWZWMINBZTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3/c1-14-9-6(5-13-16-3)4-7(12)10(15-2)8(9)11/h4,13H,5H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine?
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine has a molecular weight of 294.12 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117474393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).