N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine

C13H15Br2N3 — CID 114022999

IUPACN-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1nccn1C
InChIInChI=1S/C13H15Br2N3/c1-3-16-12(13-17-4-5-18(13)2)9-6-10(14)8-11(15)7-9/h4-8,12,16H,3H2,1-2H3
InChIKeyFFHZDYOWAOXGQY-UHFFFAOYSA-N
MW373.09 g/mol
LogP3.64
Rot. Bonds4

About N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 114022999) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID114022999
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC NameN-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cc(Br)c1)c1nccn1C
InChIInChI=1S/C13H15Br2N3/c1-3-16-12(13-17-4-5-18(13)2)9-6-10(14)8-11(15)7-9/h4-8,12,16H,3H2,1-2H3
InChIKeyFFHZDYOWAOXGQY-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 102951798
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 114022999) is N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1cc(Br)cc(Br)c1)c1nccn1C.
What is the InChIKey of N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is FFHZDYOWAOXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-3-16-12(13-17-4-5-18(13)2)9-6-10(14)8-11(15)7-9/h4-8,12,16H,3H2,1-2H3.
What are the key properties of N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 373.09 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114022999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).