1-(4-bromo-2-methylphenyl)-N-methylmethanamine

C9H12BrN — CID 43629908

IUPAC1-(4-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrN/c1-7-5-9(10)4-3-8(7)6-11-2/h3-5,11H,6H2,1-2H3
InChIKeyMHVZVOSJOVHTAC-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-N-methylmethanamine

1-(4-bromo-2-methylphenyl)-N-methylmethanamine (PubChem CID 43629908) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-methylmethanamine
PubChem CID43629908
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1-(4-bromo-2-methylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrN/c1-7-5-9(10)4-3-8(7)6-11-2/h3-5,11H,6H2,1-2H3
InChIKeyMHVZVOSJOVHTAC-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
Benzenemethanamine, 3-bromo-
CID 457587
2-Bromo-N-methylbenzylamine
CID 522360
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
4-Bromo-N,N-dimethylbenzylamine
CID 235757
Methyl((2-methylphenyl)methyl)amine
CID 263103
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methylmethanamine (CID 43629908) is 1-(4-bromo-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-methylmethanamine is CNCc1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-methylmethanamine?
The InChIKey is MHVZVOSJOVHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7-5-9(10)4-3-8(7)6-11-2/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-methylmethanamine?
1-(4-bromo-2-methylphenyl)-N-methylmethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.48, 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-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43629908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).