1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride

C8H10BrClFN — CID 86811714

IUPAC1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)ccc1Br.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-11-5-6-4-7(10)2-3-8(6)9;/h2-4,11H,5H2,1H3;1H
InChIKeyWBPMZEWXZKIUMX-UHFFFAOYSA-N
MW254.53 g/mol
LogP2.73
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride

1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 86811714) has the molecular formula C8H10BrClFN and a molecular weight of 254.53 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
PubChem CID86811714
Molecular FormulaC8H10BrClFN
Molecular Weight254.53 g/mol
Exact Mass252.97
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(F)ccc1Br.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-11-5-6-4-7(10)2-3-8(6)9;/h2-4,11H,5H2,1H3;1H
InChIKeyWBPMZEWXZKIUMX-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
CID 170912588
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
3-[(2-bromo-5-fluorophenyl)methylamino]butanenitrile
CID 61016435
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2-[(2-bromo-5-fluorophenyl)methylamino]-N-methylethanesulfonamide
CID 102675065
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride (CID 86811714) is 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride is CNCc1cc(F)ccc1Br.Cl.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is WBPMZEWXZKIUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.ClH/c1-11-5-6-4-7(10)2-3-8(6)9;/h2-4,11H,5H2,1H3;1H.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride?
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 254.53 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 86811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).