2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine

C17H26BrNS — CID 66159625

IUPAC2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(CSc1cccc(Br)c1)C1CCCC(C)C1
InChIInChI=1S/C17H26BrNS/c1-3-19-17(14-7-4-6-13(2)10-14)12-20-16-9-5-8-15(18)11-16/h5,8-9,11,13-14,17,19H,3-4,6-7,10,12H2,1-2H3
InChIKeyVQHIWTGISIHRQD-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.35
Rot. Bonds6

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

2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 66159625) has the molecular formula C17H26BrNS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID66159625
Molecular FormulaC17H26BrNS
Molecular Weight356.37 g/mol
Exact Mass355.10
IUPAC Name2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(CSc1cccc(Br)c1)C1CCCC(C)C1
InChIInChI=1S/C17H26BrNS/c1-3-19-17(14-7-4-6-13(2)10-14)12-20-16-9-5-8-15(18)11-16/h5,8-9,11,13-14,17,19H,3-4,6-7,10,12H2,1-2H3
InChIKeyVQHIWTGISIHRQD-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
2-(4-bromophenyl)sulfanyl-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 66055303
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066110

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine (CID 66159625) is 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine is CCNC(CSc1cccc(Br)c1)C1CCCC(C)C1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is VQHIWTGISIHRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNS/c1-3-19-17(14-7-4-6-13(2)10-14)12-20-16-9-5-8-15(18)11-16/h5,8-9,11,13-14,17,19H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 356.37 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 66159625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).