N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine

C11H15BrFNS — CID 115639897

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNS/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyGCSLIOWIHGCGSW-UHFFFAOYSA-N
MW292.22 g/mol
LogP3.43
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115639897) has the molecular formula C11H15BrFNS and a molecular weight of 292.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
PubChem CID115639897
Molecular FormulaC11H15BrFNS
Molecular Weight292.22 g/mol
Exact Mass291.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNS/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyGCSLIOWIHGCGSW-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
N-[(2,3-difluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639847
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225947

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine (CID 115639897) is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is GCSLIOWIHGCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNS/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 292.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115639897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).