(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine

C15H22BrNO2S — CID 107985228

IUPAC(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cccc(C(N)C2CCCC(S(C)(=O)=O)C2)c1Br
InChIInChI=1S/C15H22BrNO2S/c1-10-5-3-8-13(14(10)16)15(17)11-6-4-7-12(9-11)20(2,18)19/h3,5,8,11-12,15H,4,6-7,9,17H2,1-2H3
InChIKeyYTZRKFQXYIUWFG-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.36
Rot. Bonds3

About (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine

(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 107985228) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID107985228
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cccc(C(N)C2CCCC(S(C)(=O)=O)C2)c1Br
InChIInChI=1S/C15H22BrNO2S/c1-10-5-3-8-13(14(10)16)15(17)11-6-4-7-12(9-11)20(2,18)19/h3,5,8,11-12,15H,4,6-7,9,17H2,1-2H3
InChIKeyYTZRKFQXYIUWFG-UHFFFAOYSA-N
XLogP3.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine 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

(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine (CID 107985228) is (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine is Cc1cccc(C(N)C2CCCC(S(C)(=O)=O)C2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is YTZRKFQXYIUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-10-5-3-8-13(14(10)16)15(17)11-6-4-7-12(9-11)20(2,18)19/h3,5,8,11-12,15H,4,6-7,9,17H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine?
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 360.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 107985228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).