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

C12H14BrN3S — CID 66161180

IUPAC2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)CSc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3S/c1-16-6-5-15-12(16)11(14)8-17-10-4-2-3-9(13)7-10/h2-7,11H,8,14H2,1H3
InChIKeyWNYSTRCFMGZOCC-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.97
Rot. Bonds4

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

2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 66161180) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID66161180
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)CSc1cccc(Br)c1
InChIInChI=1S/C12H14BrN3S/c1-16-6-5-15-12(16)11(14)8-17-10-4-2-3-9(13)7-10/h2-7,11H,8,14H2,1H3
InChIKeyWNYSTRCFMGZOCC-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 66161600
2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanone
CID 66144131
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876943
2-(3-bromophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688248
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114656350
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine (CID 66161180) is 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1C(N)CSc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is WNYSTRCFMGZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-16-6-5-15-12(16)11(14)8-17-10-4-2-3-9(13)7-10/h2-7,11H,8,14H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 312.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 66161180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).