1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine

C10H14BrN — CID 59315074

IUPAC1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1c(C)cc(Br)cc1C
InChIInChI=1S/C10H14BrN/c1-7-4-9(11)5-8(2)10(7)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyLHNWXFBLOVDVEU-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine

1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 59315074) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine
PubChem CID59315074
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1c(C)cc(Br)cc1C
InChIInChI=1S/C10H14BrN/c1-7-4-9(11)5-8(2)10(7)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyLHNWXFBLOVDVEU-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-N-methylbenzylamine
CID 522360
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
8-Bromo-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10331841
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703
N-(3-bromobenzyl)-N-pentylamine
CID 11958382

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine (CID 59315074) is 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine is CNCc1c(C)cc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is LHNWXFBLOVDVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-4-9(11)5-8(2)10(7)6-12-3/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine?
1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 228.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 59315074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).