1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C11H15BrFNS — CID 62693198

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyBGLKHFIOCGGGOB-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 62693198) has the molecular formula C11H15BrFNS and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID62693198
Molecular FormulaC11H15BrFNS
Molecular Weight292.22 g/mol
Exact Mass291.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyBGLKHFIOCGGGOB-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-Bromophenyl)ethyl]-N-methylamine
CID 44578545
1-(3-Bromo-4-fluorophenyl)propan-2-amine
CID 20116958
[2-(3-Bromophenyl)ethyl](methyl)amine hydrochloride
CID 70245866
1-(3-Bromo-2-fluorophenyl)propan-2-amine
CID 83712557
1-(3-bromophenyl)-N-methylpropan-2-amine
CID 60818893
1-(5-Bromo-2-fluorophenyl)propan-2-amine
CID 20114667
[(5-Bromo-2-fluorophenyl)methyl](propan-2-yl)amine
CID 20116629
(1-(4-Fluorophenyl)-3-(methylsulfanyl)propan-2-yl)(methyl)amine hydrochloride
CID 137964270
(1-(2,4-Difluorophenyl)-3-(methylsulfanyl)propan-2-yl)(methyl)amine hydrochloride
CID 154578352
(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine
CID 129367461
2-(3-bromophenyl)-2-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 97334036
1-(3-bromophenyl)-2-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]propan-2-amine
CID 97797527

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 62693198) is 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is BGLKHFIOCGGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNS/c1-14-9(7-15-2)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,14H,5,7H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 292.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62693198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).