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

C11H15Br2NO2S — CID 115693206

IUPACN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRZBJZZVSODLAKM-UHFFFAOYSA-N
MW385.12 g/mol
LogP2.73
Rot. Bonds5

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

N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 115693206) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID115693206
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRZBJZZVSODLAKM-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 83236108
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97053957
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64631127
N-[(4-chloro-3-nitrophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 78960354
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
N-[[3-bromo-4-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 63045692
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 115693206) is N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is RZBJZZVSODLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 385.12 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).