1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine

C8H8BrF2NO — CID 117383021

IUPAC1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(F)c(Br)c1
InChIInChI=1S/C8H8BrF2NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3
InChIKeyMPXGYBTXLPNSGI-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine

1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine (PubChem CID 117383021) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
PubChem CID117383021
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
SMILESCONCc1cc(F)c(F)c(Br)c1
InChIInChI=1S/C8H8BrF2NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3
InChIKeyMPXGYBTXLPNSGI-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
1-(3-bromo-2-fluoro-5-methoxyphenyl)-N-methoxymethanamine
CID 117414396
1-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-N-methoxymethanamine
CID 117343938
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
1-(7-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 78917104
1-(5-bromo-2-chloro-4-fluorophenyl)-N-methoxymethanamine
CID 117424940
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine (CID 117383021) is 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine is CONCc1cc(F)c(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine?
The InChIKey is MPXGYBTXLPNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3.
What are the key properties of 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine?
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine has a molecular weight of 252.06 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 117383021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).