1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

C15H21BrFNO2S — CID 105014165

IUPAC1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H21BrFNO2S/c1-18-15(13-9-11(17)6-7-14(13)16)10-4-3-5-12(8-10)21(2,19)20/h6-7,9-10,12,15,18H,3-5,8H2,1-2H3
InChIKeyYXUWVLFAUYOCNJ-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014165) has the molecular formula C15H21BrFNO2S and a molecular weight of 378.31 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014165
Molecular FormulaC15H21BrFNO2S
Molecular Weight378.31 g/mol
Exact Mass377.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H21BrFNO2S/c1-18-15(13-9-11(17)6-7-14(13)16)10-4-3-5-12(8-10)21(2,19)20/h6-7,9-10,12,15,18H,3-5,8H2,1-2H3
InChIKeyYXUWVLFAUYOCNJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014197
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106692658
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (CID 105014165) is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(c1cc(F)ccc1Br)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is YXUWVLFAUYOCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2S/c1-18-15(13-9-11(17)6-7-14(13)16)10-4-3-5-12(8-10)21(2,19)20/h6-7,9-10,12,15,18H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 378.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).