1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride

C8H9BrClF2N — CID 170912588

IUPAC1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)c(F)cc1Br.Cl
InChIInChI=1S/C8H8BrF2N.ClH/c1-12-4-5-2-7(10)8(11)3-6(5)9;/h2-3,12H,4H2,1H3;1H
InChIKeySDWOTHSWEHZDCJ-UHFFFAOYSA-N
MW272.52 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride

1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 170912588) has the molecular formula C8H9BrClF2N and a molecular weight of 272.52 g/mol. Its IUPAC name is 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
PubChem CID170912588
Molecular FormulaC8H9BrClF2N
Molecular Weight272.52 g/mol
Exact Mass270.96
IUPAC Name1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)c(F)cc1Br.Cl
InChIInChI=1S/C8H8BrF2N.ClH/c1-12-4-5-2-7(10)8(11)3-6(5)9;/h2-3,12H,4H2,1H3;1H
InChIKeySDWOTHSWEHZDCJ-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
CID 170912586
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 84695301
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
3-[(2-bromo-4,5-difluorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122014086
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-[2-bromo-4-(3-fluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 114061115
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride (CID 170912588) is 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride is CNCc1cc(F)c(F)cc1Br.Cl.
What is the InChIKey of 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is SDWOTHSWEHZDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N.ClH/c1-12-4-5-2-7(10)8(11)3-6(5)9;/h2-3,12H,4H2,1H3;1H.
What are the key properties of 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride?
1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 272.52 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 170912588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).