2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

C17H27NS — CID 65139652

IUPAC2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSC2CCCCC2)cc1C
InChIInChI=1S/C17H27NS/c1-12-9-14(3)16(10-13(12)2)17(18)11-19-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11,18H2,1-3H3
InChIKeyUTJCQFVIMOIEIX-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.68
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 65139652) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID65139652
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSC2CCCCC2)cc1C
InChIInChI=1S/C17H27NS/c1-12-9-14(3)16(10-13(12)2)17(18)11-19-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11,18H2,1-3H3
InChIKeyUTJCQFVIMOIEIX-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
2-cyclohexylsulfanyl-1-(2,3-dimethylimidazol-4-yl)ethanamine
CID 114283418
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 65139652) is 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CSC2CCCCC2)cc1C.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is UTJCQFVIMOIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-12-9-14(3)16(10-13(12)2)17(18)11-19-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11,18H2,1-3H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 277.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 65139652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).