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

C10H14BrN — CID 116961880

IUPAC1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1ccc(C)cc1C
InChIInChI=1S/C10H14BrN/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6,10,12H,1-3H3
InChIKeyNKRSNUSNGJAEOM-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.92
Rot. Bonds2

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

1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 116961880) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID116961880
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1ccc(C)cc1C
InChIInChI=1S/C10H14BrN/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6,10,12H,1-3H3
InChIKeyNKRSNUSNGJAEOM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-2-(methylamino)acetaldehyde
CID 116954143
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
methyl 2-bromo-2-(2,4-dimethylphenyl)acetate
CID 23510843
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 116961880) is 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(Br)c1ccc(C)cc1C.
What is the InChIKey of 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is NKRSNUSNGJAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6,10,12H,1-3H3.
What are the key properties of 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 228.13 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116961880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).