1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

C14H18BrN3 — CID 105011510

IUPAC1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-10-8-11(4-5-12(10)15)13(16-2)9-14-17-6-7-18(14)3/h4-8,13,16H,9H2,1-3H3
InChIKeyLSWANBCJUIBQPF-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011510) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011510
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-10-8-11(4-5-12(10)15)13(16-2)9-14-17-6-7-18(14)3/h4-8,13,16H,9H2,1-3H3
InChIKeyLSWANBCJUIBQPF-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009485
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 66472439
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011239

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (CID 105011510) is 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1nccn1C)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LSWANBCJUIBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-8-11(4-5-12(10)15)13(16-2)9-14-17-6-7-18(14)3/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).