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

C11H15BrFNS — CID 62694239

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyPQJXAENVNDTPTR-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.08
Rot. Bonds5

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

1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 62694239) has the molecular formula C11H15BrFNS and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID62694239
Molecular FormulaC11H15BrFNS
Molecular Weight292.22 g/mol
Exact Mass291.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyPQJXAENVNDTPTR-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

1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225209
1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115844772

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 62694239) is 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is PQJXAENVNDTPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNS/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(4-bromo-2-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-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62694239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).