1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine

C16H24BrNS — CID 82968989

IUPAC1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1SC1CCCCC1
InChIInChI=1S/C16H24BrNS/c1-3-18-12(2)15-10-9-13(17)11-16(15)19-14-7-5-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3
InChIKeyWYVOBAVJKUOPTL-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.54
Rot. Bonds5

About 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine

1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine (PubChem CID 82968989) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
PubChem CID82968989
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1SC1CCCCC1
InChIInChI=1S/C16H24BrNS/c1-3-18-12(2)15-10-9-13(17)11-16(15)19-14-7-5-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3
InChIKeyWYVOBAVJKUOPTL-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(oxetan-3-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969089
1-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]-N-ethylethanamine
CID 82970000
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
CID 82973779
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
CID 82969170
1-[4-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]-N-ethylethanamine
CID 82969017
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine (CID 82968989) is 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1SC1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The InChIKey is WYVOBAVJKUOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-3-18-12(2)15-10-9-13(17)11-16(15)19-14-7-5-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine?
1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine has a molecular weight of 342.35 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82968989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).