1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine

C10H13BrClN — CID 84807110

IUPAC1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(C)c(Br)c1C
InChIInChI=1S/C10H13BrClN/c1-6-8(5-13-3)4-9(12)7(2)10(6)11/h4,13H,5H2,1-3H3
InChIKeyJXUZMVOBFZCHDM-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.44
Rot. Bonds2

About 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine

1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 84807110) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID84807110
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(C)c(Br)c1C
InChIInChI=1S/C10H13BrClN/c1-6-8(5-13-3)4-9(12)7(2)10(6)11/h4,13H,5H2,1-3H3
InChIKeyJXUZMVOBFZCHDM-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
3-bromo-5-chloro-2,4-dimethylaniline
CID 84797130
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chlorophenyl]-N-methylmethanamine
CID 114064766
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 83886131
1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine
CID 83890988
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine (CID 84807110) is 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine is CNCc1cc(Cl)c(C)c(Br)c1C.
What is the InChIKey of 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is JXUZMVOBFZCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-6-8(5-13-3)4-9(12)7(2)10(6)11/h4,13H,5H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 262.58 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84807110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).