1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine

C12H14BrN3 — CID 16641517

IUPAC1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CC(N)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9-15-5-6-16(9)8-12(14)10-3-2-4-11(13)7-10/h2-7,12H,8,14H2,1H3
InChIKeyAZRILRMQVPNCBT-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine

1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 16641517) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID16641517
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CC(N)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-9-15-5-6-16(9)8-12(14)10-3-2-4-11(13)7-10/h2-7,12H,8,14H2,1H3
InChIKeyAZRILRMQVPNCBT-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine (CID 16641517) is 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine is Cc1nccn1CC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is AZRILRMQVPNCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-15-5-6-16(9)8-12(14)10-3-2-4-11(13)7-10/h2-7,12H,8,14H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine?
1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 16641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).