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

C8H9BrClN — CID 43378980

IUPAC1-(5-bromo-2-chlorophenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Cl
InChIInChI=1S/C8H9BrClN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3
InChIKeyPADHGFNCHLNCMN-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.82
Rot. Bonds2

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

1-(5-bromo-2-chlorophenyl)-N-methylmethanamine (PubChem CID 43378980) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-methylmethanamine
PubChem CID43378980
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Cl
InChIInChI=1S/C8H9BrClN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3
InChIKeyPADHGFNCHLNCMN-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
N-Methyl-3-bromobenzylamine hydrochloride
CID 17290687
(3R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
CID 44447600
1-(2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 17292337
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(3-Bromo-2-chlorophenyl)methanamine
CID 69151002
N-(3-Bromobenzyl)ethanamine hydrochloride
CID 17290779
N-(3-Bromobenzyl)-1-propanamine hydrochloride
CID 17290881
5-[(5-Bromo-2-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45260385

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine (CID 43378980) is 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine is CNCc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine?
The InChIKey is PADHGFNCHLNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-methylmethanamine?
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine has a molecular weight of 234.52 g/mol, XLogP of 2.82, 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 is sourced from PubChem (CID 43378980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).