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

C8H10BrCl2N — CID 155822080

IUPAC1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-11-5-6-4-7(9)2-3-8(6)10;/h2-4,11H,5H2,1H3;1H
InChIKeyQBENBXPUAZYCNG-UHFFFAOYSA-N
MW270.99 g/mol
LogP3.24
Rot. Bonds2

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

1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 155822080) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
PubChem CID155822080
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-11-5-6-4-7(9)2-3-8(6)10;/h2-4,11H,5H2,1H3;1H
InChIKeyQBENBXPUAZYCNG-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 102673478
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
3-[(5-bromo-2-chlorophenyl)methylamino]pentanenitrile
CID 104695344
3-[(5-bromo-2-chlorophenyl)methylamino]-2-methylbutan-1-ol
CID 115732589
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757558
N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride (CID 155822080) is 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride is CNCc1cc(Br)ccc1Cl.Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is QBENBXPUAZYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c1-11-5-6-4-7(9)2-3-8(6)10;/h2-4,11H,5H2,1H3;1H.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 270.99 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155822080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).