1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine

C13H16BrN3 — CID 114283396

IUPAC1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cnc(C)n1C
InChIInChI=1S/C13H16BrN3/c1-9-16-8-12(17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3
InChIKeyOTEIOTODVPBBCX-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine

1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine (PubChem CID 114283396) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
PubChem CID114283396
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cnc(C)n1C
InChIInChI=1S/C13H16BrN3/c1-9-16-8-12(17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3
InChIKeyOTEIOTODVPBBCX-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylimidazol-4-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114283414
1-(4-bromophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482469
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-(2,3-dimethylimidazol-4-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 114283539
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283392
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine (CID 114283396) is 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cnc(C)n1C.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The InChIKey is OTEIOTODVPBBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-16-8-12(17(9)3)13(15-2)10-4-6-11(14)7-5-10/h4-8,13,15H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 114283396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).