1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine

C8H8BrClFNO — CID 117424940

IUPAC1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C8H8BrClFNO/c1-13-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3
InChIKeyJBNGHJVZSJIAAW-UHFFFAOYSA-N
MW268.51 g/mol
LogP2.89
Rot. Bonds3

About 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine

1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine (PubChem CID 117424940) has the molecular formula C8H8BrClFNO and a molecular weight of 268.51 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
PubChem CID117424940
Molecular FormulaC8H8BrClFNO
Molecular Weight268.51 g/mol
Exact Mass266.95
IUPAC Name1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C8H8BrClFNO/c1-13-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3
InChIKeyJBNGHJVZSJIAAW-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
CID 117414396
(5-bromo-2-chloro-4-fluorophenyl)methoxy-tri(propan-2-yl)silane
CID 53329584
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
bis[2-(5-bromo-2-chloro-4-fluorophenyl)ethyl] carbonate
CID 118658797
1-(2-chloro-5-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313548
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117495457
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine (CID 117424940) is 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine is CONCc1cc(Br)c(F)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine?
The InChIKey is JBNGHJVZSJIAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO/c1-13-12-4-5-2-6(9)8(11)3-7(5)10/h2-3,12H,4H2,1H3.
What are the key properties of 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine?
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine has a molecular weight of 268.51 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 117424940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).