1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

C15H23Br2NO2S — CID 81473129

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)c(C)cc1Br)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H23Br2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-9-12(16)10(2)8-13(11)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyFSXFIYJSNTXQOY-UHFFFAOYSA-N
MW441.23 g/mol
LogP4.38
Rot. Bonds6

About 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 81473129) has the molecular formula C15H23Br2NO2S and a molecular weight of 441.23 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID81473129
Molecular FormulaC15H23Br2NO2S
Molecular Weight441.23 g/mol
Exact Mass438.98
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)c(C)cc1Br)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H23Br2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-9-12(16)10(2)8-13(11)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyFSXFIYJSNTXQOY-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 79725643
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
1-(3-ethoxyphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 105022167
N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81473765
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(4-bromo-5-methylthiophen-2-yl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 102827406

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (CID 81473129) is 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1cc(Br)c(C)cc1Br)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is FSXFIYJSNTXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-9-12(16)10(2)8-13(11)17/h8-9,14,18H,6-7H2,1-5H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 441.23 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 81473129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).