1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine

C15H20BrN3S — CID 79760889

IUPAC1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(CSc1ccc(Br)cc1)NC
InChIInChI=1S/C15H20BrN3S/c1-3-19-9-8-18-15(19)10-13(17-2)11-20-14-6-4-12(16)5-7-14/h4-9,13,17H,3,10-11H2,1-2H3
InChIKeyCKHDWCSFWFNCJZ-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.59
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine

1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 79760889) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID79760889
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(CSc1ccc(Br)cc1)NC
InChIInChI=1S/C15H20BrN3S/c1-3-19-9-8-18-15(19)10-13(17-2)11-20-14-6-4-12(16)5-7-14/h4-9,13,17H,3,10-11H2,1-2H3
InChIKeyCKHDWCSFWFNCJZ-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine
CID 79760892
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 79752662
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 66054719
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009485
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine (CID 79760889) is 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine is CCn1ccnc1CC(CSc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is CKHDWCSFWFNCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-3-19-9-8-18-15(19)10-13(17-2)11-20-14-6-4-12(16)5-7-14/h4-9,13,17H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 354.32 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(1-ethylimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 79760889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).