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

C14H19BrFNO2S — CID 105014355

IUPAC(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)c2cccc(F)c2Br)C1
InChIInChI=1S/C14H19BrFNO2S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14H,2,4-5,8,17H2,1H3
InChIKeyYBFCWSKPRZAAFA-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.19
Rot. Bonds3

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

(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014355) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014355
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)c2cccc(F)c2Br)C1
InChIInChI=1S/C14H19BrFNO2S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14H,2,4-5,8,17H2,1H3
InChIKeyYBFCWSKPRZAAFA-UHFFFAOYSA-N
XLogP3.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine (CID 105014355) is (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine is CS(=O)(=O)C1CCCC(C(N)c2cccc(F)c2Br)C1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is YBFCWSKPRZAAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14H,2,4-5,8,17H2,1H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 364.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).