1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride

C8H10BrCl2N — CID 155822696

IUPAC1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H
InChIKeyISBOKAUDJQRKCW-UHFFFAOYSA-N
MW270.99 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride

1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 155822696) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
PubChem CID155822696
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H
InChIKeyISBOKAUDJQRKCW-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

Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
N-Methyl-4-bromobenzylamine hydrochloride
CID 17290661
1-(2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 17292337
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
CID 127264608
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride (CID 155822696) is 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride is CNCc1ccc(Br)cc1Cl.Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is ISBOKAUDJQRKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride?
1-(4-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-(4-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155822696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).