N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine

C11H15Br2NS — CID 115757568

IUPACN-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NS/c1-8(15-2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDECGTGGPMFKMFM-UHFFFAOYSA-N
MW353.12 g/mol
LogP4.05
Rot. Bonds5

About N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine

N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757568) has the molecular formula C11H15Br2NS and a molecular weight of 353.12 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757568
Molecular FormulaC11H15Br2NS
Molecular Weight353.12 g/mol
Exact Mass350.93
IUPAC NameN-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NS/c1-8(15-2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDECGTGGPMFKMFM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylsulfanylpropan-1-amine
CID 107342475
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604418
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757641
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[(3,4-dibromophenyl)methyl]prop-2-yn-1-amine
CID 115692967
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115757686

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757568) is N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is DECGTGGPMFKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NS/c1-8(15-2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 353.12 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).