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

C13H16BrN3 — CID 107973641

IUPAC2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cn(C)cn1
InChIInChI=1S/C13H16BrN3/c1-15-12(13-8-17(2)9-16-13)7-10-4-3-5-11(14)6-10/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyHNMCVNPPFAWBQS-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.69
Rot. Bonds4

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

2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107973641) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107973641
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(Br)c1)c1cn(C)cn1
InChIInChI=1S/C13H16BrN3/c1-15-12(13-8-17(2)9-16-13)7-10-4-3-5-11(14)6-10/h3-6,8-9,12,15H,7H2,1-2H3
InChIKeyHNMCVNPPFAWBQS-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 114023214
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 63413320

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine (CID 107973641) is 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine is CNC(Cc1cccc(Br)c1)c1cn(C)cn1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is HNMCVNPPFAWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-15-12(13-8-17(2)9-16-13)7-10-4-3-5-11(14)6-10/h3-6,8-9,12,15H,7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107973641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).