2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine

C16H24BrNS — CID 66055303

IUPAC2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(CSc1ccc(Br)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3
InChIKeyTUAQFHDPOJAAEU-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.96
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine

2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 66055303) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID66055303
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
SMILESCNC(CSc1ccc(Br)cc1)C1CCCC(C)C1
InChIInChI=1S/C16H24BrNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3
InChIKeyTUAQFHDPOJAAEU-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(3-methylcyclohexyl)ethanol
CID 66056467
2-(4-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 55186434
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 106848828
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine (CID 66055303) is 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine is CNC(CSc1ccc(Br)cc1)C1CCCC(C)C1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is TUAQFHDPOJAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-12-4-3-5-13(10-12)16(18-2)11-19-15-8-6-14(17)7-9-15/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine?
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 342.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 66055303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).