N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine

C11H15BrClNO2S — CID 83236108

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO2S/c1-8(7-17(2,15)16)14-6-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyPIEWAACOTQHDEL-UHFFFAOYSA-N
MW340.67 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine

N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 83236108) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID83236108
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO2S/c1-8(7-17(2,15)16)14-6-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyPIEWAACOTQHDEL-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 115693206
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
N-[(4-chloro-3-nitrophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 78960354
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97053957
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64631127
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 83236108) is N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is PIEWAACOTQHDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-8(7-17(2,15)16)14-6-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 340.67 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 83236108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).