2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine

C16H22BrNS — CID 106653493

IUPAC2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Br)C1=CCCCC1
InChIInChI=1S/C16H22BrNS/c1-2-18-15(13-8-4-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-8,10-11,15,18H,2-5,9,12H2,1H3
InChIKeySWJLXAXRWTVSJH-UHFFFAOYSA-N
MW340.33 g/mol
LogP5.02
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine

2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine (PubChem CID 106653493) has the molecular formula C16H22BrNS and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
PubChem CID106653493
Molecular FormulaC16H22BrNS
Molecular Weight340.33 g/mol
Exact Mass339.07
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Br)C1=CCCCC1
InChIInChI=1S/C16H22BrNS/c1-2-18-15(13-8-4-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-8,10-11,15,18H,2-5,9,12H2,1H3
InChIKeySWJLXAXRWTVSJH-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-methylethanamine
CID 106653490
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 106653430
2-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)-N-ethylethanamine
CID 79601725
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
2-(2-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-ethylethanamine
CID 66144476
N-[(4-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 113396706
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-[(3-bromo-2-pyridinyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 106654365
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine (CID 106653493) is 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine is CCNC(CSc1ccccc1Br)C1=CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine?
The InChIKey is SWJLXAXRWTVSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNS/c1-2-18-15(13-8-4-3-5-9-13)12-19-16-11-7-6-10-14(16)17/h6-8,10-11,15,18H,2-5,9,12H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine?
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine has a molecular weight of 340.33 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine is sourced from PubChem (CID 106653493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).